(3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine

C14H20N2O3S — CID 72854249

IUPAC(3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1cccc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1
InChIInChI=1S/C14H20N2O3S/c1-19-11-3-2-4-12(7-11)20(17,18)16-8-13(10-5-6-10)14(15)9-16/h2-4,7,10,13-14H,5-6,8-9,15H2,1H3/t13-,14+/m1/s1
InChIKeyRWWGFUVGRGWQRE-KGLIPLIRSA-N
MW296.39 g/mol
LogP1.05
Rot. Bonds4

About (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 72854249) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine
PubChem CID72854249
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1cccc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1
InChIInChI=1S/C14H20N2O3S/c1-19-11-3-2-4-12(7-11)20(17,18)16-8-13(10-5-6-10)14(15)9-16/h2-4,7,10,13-14H,5-6,8-9,15H2,1H3/t13-,14+/m1/s1
InChIKeyRWWGFUVGRGWQRE-KGLIPLIRSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-cyano-3-pyrrolidinyl]-2,5-bis(methyloxy)benzenesulfonamide
CID 44464926
N-[(3R,5S)-1-Cyano-5-methyl-3-pyrrolidinyl]-2,5-bis(methyloxy)benzenesulfonamide
CID 53318818
N-[2-(Diethylamino)ethyl]-3-Methoxy-Benzenesulfonamide
CID 71677774
1-[2-[(2R)-1-[(3-Methoxyphenyl)sulfonyl]-2-pyrrolidinyl]ethyl]-4-methylpiperidine
CID 10499156
1-[2-[(2S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 44368705
N-(1-cyano-3-pyrrolidinyl)-3-methoxybenzenesulfonamide
CID 44142160
(3S*,4R*)-1-{[4-(difluoromethoxy)phenyl]sulfonyl}-N,N-dimethyl-4-propyl-3-pyrrolidinamine
CID 70722908
(3R*,4S*)-4-cyclopropyl-1-{[4-(difluoromethoxy)phenyl]sulfonyl}pyrrolidin-3-amine
CID 72876025
N-[(3R,5R)-1-cyano-5-methylpyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 53325394
N-{(3S*,4R*)-1-[(3,4-dimethoxyphenyl)sulfonyl]-4-propyl-3-pyrrolidinyl}acetamide
CID 70725043
(3S*,4R*)-4-isopropyl-1-[(3-methoxyphenyl)sulfonyl]-N,N-dimethyl-3-pyrrolidinamine
CID 72875035
N-[(3R*,4S*)-1-acetyl-4-isopropyl-3-pyrrolidinyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 72876554

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine (CID 72854249) is (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine is COc1cccc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is RWWGFUVGRGWQRE-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-11-3-2-4-12(7-11)20(17,18)16-8-13(10-5-6-10)14(15)9-16/h2-4,7,10,13-14H,5-6,8-9,15H2,1H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 296.39 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 72854249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).