N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide

C15H24N2O3S — CID 39978067

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide
SMILESCOc1ccccc1[C@H](C)NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-12-8-10-17(11-9-12)21(18,19)16-13(2)14-6-4-5-7-15(14)20-3/h4-7,12-13,16H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyHDNUVZDAFLJKBY-ZDUSSCGKSA-N
MW312.43 g/mol
LogP2.32
Rot. Bonds5

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 39978067) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide
PubChem CID39978067
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide
SMILESCOc1ccccc1[C@H](C)NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-12-8-10-17(11-9-12)21(18,19)16-13(2)14-6-4-5-7-15(14)20-3/h4-7,12-13,16H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyHDNUVZDAFLJKBY-ZDUSSCGKSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554611
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide
CID 131912080
N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
CID 65030816
N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide
CID 61252728
2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 107650835
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 98449460
(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 98672552
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide (CID 39978067) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide is COc1ccccc1[C@H](C)NS(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is HDNUVZDAFLJKBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-8-10-17(11-9-12)21(18,19)16-13(2)14-6-4-5-7-15(14)20-3/h4-7,12-13,16H,8-11H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 39978067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).