(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide

C15H24N2O3S — CID 35431016

IUPAC(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-13-4-3-11-17(12-13)21(18,19)16-10-9-14-5-7-15(20-2)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3/t13-/m1/s1
InChIKeyJDRHTUYJTYJGAI-CYBMUJFWSA-N
MW312.43 g/mol
LogP1.80
Rot. Bonds6

About (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide

(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 35431016) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
PubChem CID35431016
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-13-4-3-11-17(12-13)21(18,19)16-10-9-14-5-7-15(20-2)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3/t13-/m1/s1
InChIKeyJDRHTUYJTYJGAI-CYBMUJFWSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
N-[2-(4-methoxyphenyl)ethyl]piperidine-1-sulfonamide
CID 47148921
(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 94021508
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 94809275
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47165000
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 46595829
N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine-1-sulfonamide
CID 86989323
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 71997194
N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108964434
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide (CID 35431016) is (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide is COc1ccc(CCNS(=O)(=O)N2CCC[C@@H](C)C2)cc1.
What is the InChIKey of (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is JDRHTUYJTYJGAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-4-3-11-17(12-13)21(18,19)16-10-9-14-5-7-15(20-2)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide?
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 35431016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).