(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine

C13H17ClN2O2S — CID 133125721

IUPAC(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@H]1C1CC1
InChIInChI=1S/C13H17ClN2O2S/c14-10-2-1-3-11(6-10)19(17,18)16-7-12(9-4-5-9)13(15)8-16/h1-3,6,9,12-13H,4-5,7-8,15H2/t12-,13+/m0/s1
InChIKeyGHFPJOXPXZBIGG-QWHCGFSZSA-N
MW300.81 g/mol
LogP1.70
Rot. Bonds3

About (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine

(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine (PubChem CID 133125721) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
PubChem CID133125721
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@H]1C1CC1
InChIInChI=1S/C13H17ClN2O2S/c14-10-2-1-3-11(6-10)19(17,18)16-7-12(9-4-5-9)13(15)8-16/h1-3,6,9,12-13H,4-5,7-8,15H2/t12-,13+/m0/s1
InChIKeyGHFPJOXPXZBIGG-QWHCGFSZSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594008
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
(3aR,4S,6aS)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 66590521
(6aS)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 67414284
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
CID 131891133

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine (CID 133125721) is (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine is N[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C[C@H]1C1CC1.
What is the InChIKey of (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine?
The InChIKey is GHFPJOXPXZBIGG-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-10-2-1-3-11(6-10)19(17,18)16-7-12(9-4-5-9)13(15)8-16/h1-3,6,9,12-13H,4-5,7-8,15H2/t12-,13+/m0/s1.
What are the key properties of (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine?
(3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine has a molecular weight of 300.81 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 133125721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).