N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide

C17H26N2O2S — CID 86841877

IUPACN-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,18-12-5-2-6-13-18)19(15-17-10-7-11-17)14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2
InChIKeyNHQMWSFFYMDMKH-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.02
Rot. Bonds6

About N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide

N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide (PubChem CID 86841877) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
PubChem CID86841877
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,18-12-5-2-6-13-18)19(15-17-10-7-11-17)14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2
InChIKeyNHQMWSFFYMDMKH-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
CID 107366720
N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 71050438
N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119961266
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
CID 61013841
N,N-dibenzylcyclohexanesulfonamide
CID 162418871
N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120584167
N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 115556438
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide
CID 134017765
methyl 2-[(4-phenylmethoxyphenyl)methyl-pyrrolidin-1-ylsulfonylamino]acetate
CID 69361087
N-benzylpiperidine-1-sulfonamide
CID 2989594
N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride
CID 120584146

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide (CID 86841877) is N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide is O=S(=O)(N1CCCCC1)N(Cc1ccccc1)CC1CCC1.
What is the InChIKey of N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide?
The InChIKey is NHQMWSFFYMDMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-22(21,18-12-5-2-6-13-18)19(15-17-10-7-11-17)14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2.
What are the key properties of N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide?
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide has a molecular weight of 322.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 86841877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).