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765962-67-2 molecular structure
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ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate

ChemBase ID: 254860
Molecular Formular: C8H14ClNO4S
Molecular Mass: 255.71906
Monoisotopic Mass: 255.03320661
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCC(C(=O)OCC)CC1)Cl
Canonical SMILES:
CCOC(=O)C1CCN(CC1)S(=O)(=O)Cl
InChI:
InChI=1S/C8H14ClNO4S/c1-2-14-8(11)7-3-5-10(6-4-7)15(9,12)13/h7H,2-6H2,1H3
InChIKey:
RBSATNAZLGTHIX-UHFFFAOYSA-N

Cite this record

CBID:254860 http://www.chembase.cn/molecule-254860.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
IUPAC Traditional name
ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
Synonyms
ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
ethyl 1-(chlorosulfonyl)-4-piperidinecarboxylate
CAS Number
765962-67-2
MDL Number
MFCD08444759
PubChem SID
164310770
PubChem CID
16228198

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16228198 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.37213314  LogD (pH = 7.4) 0.37213314 
Log P 0.37213314  Molar Refractivity 56.5709 cm3
Polarizability 22.9158 Å3 Polar Surface Area 63.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
38 - 40°C expand Show data source
Hydrophobicity(logP)
0.348 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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