(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine

C17H26N2O3S — CID 98752346

IUPAC(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
SMILESCOc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H26N2O3S/c1-14-6-4-10-18(13-14)23(20,21)19-11-5-9-17(19)15-7-3-8-16(12-15)22-2/h3,7-8,12,14,17H,4-6,9-11,13H2,1-2H3/t14-,17-/m0/s1
InChIKeyZZARSPJSDFOYKN-YOEHRIQHSA-N
MW338.47 g/mol
LogP2.81
Rot. Bonds4

About (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine

(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine (PubChem CID 98752346) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
PubChem CID98752346
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
SMILESCOc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H26N2O3S/c1-14-6-4-10-18(13-14)23(20,21)19-11-5-9-17(19)15-7-3-8-16(12-15)22-2/h3,7-8,12,14,17H,4-6,9-11,13H2,1-2H3/t14-,17-/m0/s1
InChIKeyZZARSPJSDFOYKN-YOEHRIQHSA-N
XLogP2.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 95131826
(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine
CID 95710602
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
1-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-(3-methoxyphenyl)sulfonylpiperazine
CID 46088470
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 60960045
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524
methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 46514637
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide
CID 134060178
4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 94579683
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine?
The IUPAC name of (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine (CID 98752346) is (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine.
What is the SMILES notation for (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine?
The canonical SMILES for (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine is COc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCC[C@H](C)C2)c1.
What is the InChIKey of (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine?
The InChIKey is ZZARSPJSDFOYKN-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-6-4-10-18(13-14)23(20,21)19-11-5-9-17(19)15-7-3-8-16(12-15)22-2/h3,7-8,12,14,17H,4-6,9-11,13H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine?
(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine has a molecular weight of 338.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine is sourced from PubChem (CID 98752346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).