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

C11H17ClN2O2S — CID 119962425

IUPAC(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-9-2-4-11(5-3-9)16(14,15)13-7-6-10(12)8-13;/h2-5,10H,6-8,12H2,1H3;1H/t10-;/m1./s1
InChIKeyUCBBXGHPZIAXTA-HNCPQSOCSA-N
MW276.79 g/mol
LogP1.14
Rot. Bonds2

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

(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962425) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962425
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-9-2-4-11(5-3-9)16(14,15)13-7-6-10(12)8-13;/h2-5,10H,6-8,12H2,1H3;1H/t10-;/m1./s1
InChIKeyUCBBXGHPZIAXTA-HNCPQSOCSA-N
XLogP1.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 120999160
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532
(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
CID 119962853
(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 86814826
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962425) is (3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.Cl.
What is the InChIKey of (3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is UCBBXGHPZIAXTA-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c1-9-2-4-11(5-3-9)16(14,15)13-7-6-10(12)8-13;/h2-5,10H,6-8,12H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).