(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C11H16Cl2N2O2S — CID 119962659

IUPAC(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)c(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O2S.ClH/c1-8-2-3-11(10(12)6-8)17(15,16)14-5-4-9(13)7-14;/h2-3,6,9H,4-5,7,13H2,1H3;1H/t9-;/m1./s1
InChIKeyZXWWWOBVVNNUQZ-SBSPUUFOSA-N
MW311.23 g/mol
LogP1.79
Rot. Bonds2

About (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962659) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962659
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)c(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O2S.ClH/c1-8-2-3-11(10(12)6-8)17(15,16)14-5-4-9(13)7-14;/h2-3,6,9H,4-5,7,13H2,1H3;1H/t9-;/m1./s1
InChIKeyZXWWWOBVVNNUQZ-SBSPUUFOSA-N
XLogP1.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971647
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582
1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312553

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962659) is (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)c(Cl)c1.Cl.
What is the InChIKey of (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is ZXWWWOBVVNNUQZ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H15ClN2O2S.ClH/c1-8-2-3-11(10(12)6-8)17(15,16)14-5-4-9(13)7-14;/h2-3,6,9H,4-5,7,13H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 311.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).