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85488-07-9 molecular structure
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N-[2-(piperidin-4-yl)ethyl]methanesulfonamide

ChemBase ID: 306415
Molecular Formular: C8H18N2O2S
Molecular Mass: 206.30572
Monoisotopic Mass: 206.10889883
SMILES and InChIs

SMILES:
S(=O)(=O)(NCCC1CCNCC1)C
Canonical SMILES:
CS(=O)(=O)NCCC1CCNCC1
InChI:
InChI=1S/C8H18N2O2S/c1-13(11,12)10-7-4-8-2-5-9-6-3-8/h8-10H,2-7H2,1H3
InChIKey:
UGPPYKTUXGONMA-UHFFFAOYSA-N

Cite this record

CBID:306415 http://www.chembase.cn/molecule-306415.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(piperidin-4-yl)ethyl]methanesulfonamide
IUPAC Traditional name
N-[2-(piperidin-4-yl)ethyl]methanesulfonamide
Synonyms
N-(2-piperidin-4-ylethyl)methanesulfonamide
CAS Number
85488-07-9
MDL Number
MFCD05022435

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) -4.07216 
LogD (pH = 7.4) -3.6150994  Log P -0.97777027 
Molar Refractivity 52.616 cm3 Polarizability 21.597046 Å3
Polar Surface Area 58.2 Å2 H Acceptors

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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