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

C15H24N2O3S — CID 35308806

IUPAC(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)N1CCCC[C@H]1C
InChIInChI=1S/C15H24N2O3S/c1-13-7-5-6-12-17(13)21(18,19)16-11-10-14-8-3-4-9-15(14)20-2/h3-4,8-9,13,16H,5-7,10-12H2,1-2H3/t13-/m1/s1
InChIKeyHJDNEUKBYZGNAG-CYBMUJFWSA-N
MW312.43 g/mol
LogP1.95
Rot. Bonds6

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

(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 35308806) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide
PubChem CID35308806
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)N1CCCC[C@H]1C
InChIInChI=1S/C15H24N2O3S/c1-13-7-5-6-12-17(13)21(18,19)16-11-10-14-8-3-4-9-15(14)20-2/h3-4,8-9,13,16H,5-7,10-12H2,1-2H3/t13-/m1/s1
InChIKeyHJDNEUKBYZGNAG-CYBMUJFWSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35293436
N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 42936490
(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide
CID 95322188
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51073763
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42065114
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(2-methoxyphenyl)ethyl]oxamide
CID 16829673
N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide
CID 110408740
(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 92887750
2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 155269120
2-methyl-N-phenacylpiperidine-1-sulfonamide
CID 64994247
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
N-[2-(2-methoxyethylamino)ethyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120717614

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide (CID 35308806) is (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide is COc1ccccc1CCNS(=O)(=O)N1CCCC[C@H]1C.
What is the InChIKey of (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is HJDNEUKBYZGNAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-7-5-6-12-17(13)21(18,19)16-11-10-14-8-3-4-9-15(14)20-2/h3-4,8-9,13,16H,5-7,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide?
(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 35308806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).