N-(1-benzylpiperidin-4-yl)methanesulfonamide

C13H20N2O2S — CID 669036

IUPACN-(1-benzylpiperidin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyXULOBRVEVUMRRD-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.20
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)methanesulfonamide

N-(1-benzylpiperidin-4-yl)methanesulfonamide (PubChem CID 669036) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)methanesulfonamide
PubChem CID669036
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(1-benzylpiperidin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyXULOBRVEVUMRRD-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
1-Benzyl-4-piperidylamine
CID 415852
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
1-(1-Benzylpiperidin-4-yl)-4-methylsulfonylpiperazine
CID 878477
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
1-Benzyl-2-methylpiperazine
CID 10442525
Wy 27127
CID 125697
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide
CID 6923554
N-[(1S)-1-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]-2,2,2-trifluoroethyl]methanesulfonamide
CID 71655815
N-(1-Phenylethyl)methanesulfonamide
CID 380740
1-(1-Methylpiperidin-3-yl)-1-phenylmethanamine
CID 3064185

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)methanesulfonamide (CID 669036) is N-(1-benzylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)methanesulfonamide is CS(=O)(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)methanesulfonamide?
The InChIKey is XULOBRVEVUMRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-18(16,17)14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)methanesulfonamide?
N-(1-benzylpiperidin-4-yl)methanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 669036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).