N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide

C15H22N2O3S — CID 51160926

IUPACN-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-3-14-9-4-5-10-17(14)15(18)12-7-6-8-13(11-12)16-21(2,19)20/h6-8,11,14,16H,3-5,9-10H2,1-2H3
InChIKeyNDLVERQFYVNCMO-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.46
Rot. Bonds4

About N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide

N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 51160926) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID51160926
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-3-14-9-4-5-10-17(14)15(18)12-7-6-8-13(11-12)16-21(2,19)20/h6-8,11,14,16H,3-5,9-10H2,1-2H3
InChIKeyNDLVERQFYVNCMO-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 134019044
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
N-[3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 47800118
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 54885699
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
ethyl (3S)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 31469286

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide (CID 51160926) is N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide is CCC1CCCCN1C(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is NDLVERQFYVNCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-14-9-4-5-10-17(14)15(18)12-7-6-8-13(11-12)16-21(2,19)20/h6-8,11,14,16H,3-5,9-10H2,1-2H3.
What are the key properties of N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide?
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 51160926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).