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

C13H17ClN2O2S — CID 72910682

IUPAC(3R,4S)-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+/m1/s1
InChIKeyGHFPJOXPXZBIGG-OLZOCXBDSA-N
MW300.81 g/mol
LogP1.70
Rot. Bonds3

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

(3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine (PubChem CID 72910682) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is (3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
PubChem CID72910682
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name(3R,4S)-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+/m1/s1
InChIKeyGHFPJOXPXZBIGG-OLZOCXBDSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine (CID 72910682) is (3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-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 (3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine?
The InChIKey is GHFPJOXPXZBIGG-OLZOCXBDSA-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+/m1/s1.
What are the key properties of (3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine?
(3R,4S)-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 (3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 72910682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).