N-benzylpiperidine-1-sulfonamide

C12H18N2O2S — CID 2989594

IUPACN-benzylpiperidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)N1CCCCC1
InChIInChI=1S/C12H18N2O2S/c15-17(16,14-9-5-2-6-10-14)13-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyPBNXYRBUOTXYMC-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.51
Rot. Bonds4

About N-benzylpiperidine-1-sulfonamide

N-benzylpiperidine-1-sulfonamide (PubChem CID 2989594) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-benzylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-benzylpiperidine-1-sulfonamide
PubChem CID2989594
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-benzylpiperidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)N1CCCCC1
InChIInChI=1S/C12H18N2O2S/c15-17(16,14-9-5-2-6-10-14)13-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyPBNXYRBUOTXYMC-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]azepane-1-sulfonamide
CID 55223918
N-[(4-aminophenyl)methyl]azepane-1-sulfonamide
CID 43604589
N-[(3-aminophenyl)methyl]azepane-1-sulfonamide
CID 43593573
N-[[3-(chloromethyl)phenyl]methyl]azepane-1-sulfonamide
CID 65032852
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
CID 55206379
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072
(2R)-N-benzyl-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-sulfonamide
CID 95725085
N-benzyl-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-sulfonamide
CID 56899858
(2S)-N-benzyl-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-sulfonamide
CID 95725086
N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 16616688
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774
N-benzyl-4-pyridin-4-yl-1,4-diazepane-1-sulfonamide
CID 56864426

Frequently Asked Questions

What is the IUPAC name of N-benzylpiperidine-1-sulfonamide?
The IUPAC name of N-benzylpiperidine-1-sulfonamide (CID 2989594) is N-benzylpiperidine-1-sulfonamide.
What is the SMILES notation for N-benzylpiperidine-1-sulfonamide?
The canonical SMILES for N-benzylpiperidine-1-sulfonamide is O=S(=O)(NCc1ccccc1)N1CCCCC1.
What is the InChIKey of N-benzylpiperidine-1-sulfonamide?
The InChIKey is PBNXYRBUOTXYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-17(16,14-9-5-2-6-10-14)13-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of N-benzylpiperidine-1-sulfonamide?
N-benzylpiperidine-1-sulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpiperidine-1-sulfonamide is sourced from PubChem (CID 2989594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).