N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide

C13H26N2O2S — CID 54972626

IUPACN-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c16-18(17,11-13-7-4-8-14-9-13)15-10-12-5-2-1-3-6-12/h12-15H,1-11H2
InChIKeyGSNFBRXQWCFPOB-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.49
Rot. Bonds5

About N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide

N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 54972626) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID54972626
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c16-18(17,11-13-7-4-8-14-9-13)15-10-12-5-2-1-3-6-12/h12-15H,1-11H2
InChIKeyGSNFBRXQWCFPOB-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentyloxyethyl)-1-piperidin-3-ylmethanesulfonamide
CID 63829038
1-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 114955890
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
CID 106222713
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide
CID 124681889
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114116779
1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide
CID 128845558
N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114400701
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide (CID 54972626) is N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide is O=S(=O)(CC1CCCNC1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is GSNFBRXQWCFPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c16-18(17,11-13-7-4-8-14-9-13)15-10-12-5-2-1-3-6-12/h12-15H,1-11H2.
What are the key properties of N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide?
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 54972626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).