N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide

C15H30N2O2S — CID 100624594

IUPACN-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(CCC2CCCCCC2)C1
InChIInChI=1S/C15H30N2O2S/c1-20(18,19)16-15-9-6-11-17(13-15)12-10-14-7-4-2-3-5-8-14/h14-16H,2-13H2,1H3/t15-/m0/s1
InChIKeyLNVDHENNANKBPO-HNNXBMFYSA-N
MW302.48 g/mol
LogP2.36
Rot. Bonds5

About N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide

N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide (PubChem CID 100624594) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide
PubChem CID100624594
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(CCC2CCCCCC2)C1
InChIInChI=1S/C15H30N2O2S/c1-20(18,19)16-15-9-6-11-17(13-15)12-10-14-7-4-2-3-5-8-14/h14-16H,2-13H2,1H3/t15-/m0/s1
InChIKeyLNVDHENNANKBPO-HNNXBMFYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylethyl)-N-methylpiperidin-3-amine;hydrochloride
CID 119919012
N-(1-cyclohexylpiperidin-3-yl)methanesulfonamide
CID 86865548
3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
CID 95159240
N-cycloheptylmethanesulfonamide
CID 3113423
N-cyclopropyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-3-amine
CID 114516764
N-(1-ethylpyrrolidin-3-yl)methanesulfonamide
CID 131150504
1-[1-(2-cyclopentylethyl)piperidin-3-yl]ethanamine
CID 119925718
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 163352401
N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide
CID 99828747
3-bromo-1-(2-cyclopentylethyl)piperidine
CID 130479214
(1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 173098922
2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 95142904

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide (CID 100624594) is N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(CCC2CCCCCC2)C1.
What is the InChIKey of N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is LNVDHENNANKBPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-20(18,19)16-15-9-6-11-17(13-15)12-10-14-7-4-2-3-5-8-14/h14-16H,2-13H2,1H3/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 100624594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).