1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine

C12H17ClN2O2S — CID 103576451

IUPAC1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C12H17ClN2O2S/c1-8-3-4-10(13)5-12(8)18(16,17)15-6-9(2)11(14)7-15/h3-5,9,11H,6-7,14H2,1-2H3
InChIKeyAKLCQHJHBOQQEO-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.62
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine

1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine (PubChem CID 103576451) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
PubChem CID103576451
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C12H17ClN2O2S/c1-8-3-4-10(13)5-12(8)18(16,17)15-6-9(2)11(14)7-15/h3-5,9,11H,6-7,14H2,1-2H3
InChIKeyAKLCQHJHBOQQEO-UHFFFAOYSA-N
XLogP1.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
methyl 3-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-4-methylbenzoate
CID 103576268
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
1-(2,5-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585592
(3aS,7aS)-2-[1-(5-chloro-2-methylphenyl)sulfonylazetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99990065
1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585444
1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585521
1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585524
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030456
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120713704

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine (CID 103576451) is 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine is Cc1ccc(Cl)cc1S(=O)(=O)N1CC(C)C(N)C1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
The InChIKey is AKLCQHJHBOQQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8-3-4-10(13)5-12(8)18(16,17)15-6-9(2)11(14)7-15/h3-5,9,11H,6-7,14H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine?
1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine has a molecular weight of 288.80 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).