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774575-85-8 molecular structure
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tert-butyl 4-(thiophene-2-sulfonyl)piperazine-1-carboxylate

ChemBase ID: 292128
Molecular Formular: C13H20N2O4S2
Molecular Mass: 332.4389
Monoisotopic Mass: 332.08644913
SMILES and InChIs

SMILES:
O=C(N1CCN(S(=O)(=O)c2cccs2)CC1)OC(C)(C)C
Canonical SMILES:
O=C(N1CCN(CC1)S(=O)(=O)c1cccs1)OC(C)(C)C
InChI:
InChI=1S/C13H20N2O4S2/c1-13(2,3)19-12(16)14-6-8-15(9-7-14)21(17,18)11-5-4-10-20-11/h4-5,10H,6-9H2,1-3H3
InChIKey:
CDLDKEHFURBZIW-UHFFFAOYSA-N

Cite this record

CBID:292128 http://www.chembase.cn/molecule-292128.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(thiophene-2-sulfonyl)piperazine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(thiophene-2-sulfonyl)piperazine-1-carboxylate
Synonyms
tert-Butyl 4-(thiophen-2-ylsulfonyl)piperazine-1-carboxylate
CAS Number
774575-85-8
MDL Number
MFCD06757587
PubChem SID
180677659
PubChem CID
17255579

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD239781 Please log in.
Data Source Data ID
PubChem 17255579 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7203313  LogD (pH = 7.4) 1.7203313 
Log P 1.7203313  Molar Refractivity 80.0255 cm3
Polarizability 32.154297 Å3 Polar Surface Area 66.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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