(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine

C17H20N2O3S — CID 52872809

IUPAC(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1
InChIInChI=1S/C17H20N2O3S/c1-22-16-7-9-17(10-8-16)23(20,21)19-12-11-15(13-19)18-14-5-3-2-4-6-14/h2-10,15,18H,11-13H2,1H3/t15-/m1/s1
InChIKeyKUHYCJUAILBSTO-OAHLLOKOSA-N
MW332.43 g/mol
LogP2.57
Rot. Bonds5

About (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine

(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine (PubChem CID 52872809) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
PubChem CID52872809
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1
InChIInChI=1S/C17H20N2O3S/c1-22-16-7-9-17(10-8-16)23(20,21)19-12-11-15(13-19)18-14-5-3-2-4-6-14/h2-10,15,18H,11-13H2,1H3/t15-/m1/s1
InChIKeyKUHYCJUAILBSTO-OAHLLOKOSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3S)-3-anilinopyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 94808929
N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
CID 4521391
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 24668842
1-butan-2-yl-3-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]urea
CID 50847793
4-chloro-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine
CID 114683611
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine (CID 52872809) is (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine is COc1ccc(S(=O)(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine?
The InChIKey is KUHYCJUAILBSTO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-22-16-7-9-17(10-8-16)23(20,21)19-12-11-15(13-19)18-14-5-3-2-4-6-14/h2-10,15,18H,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine?
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine has a molecular weight of 332.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine is sourced from PubChem (CID 52872809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).