(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C12H19ClN2O2S — CID 119993597

IUPAC(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-2-10-3-5-12(6-4-10)17(15,16)14-8-7-11(13)9-14;/h3-6,11H,2,7-9,13H2,1H3;1H/t11-;/m0./s1
InChIKeyRGTFKXSMJZDXEA-MERQFXBCSA-N
MW290.82 g/mol
LogP1.39
Rot. Bonds3

About (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119993597) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119993597
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-2-10-3-5-12(6-4-10)17(15,16)14-8-7-11(13)9-14;/h3-6,11H,2,7-9,13H2,1H3;1H/t11-;/m0./s1
InChIKeyRGTFKXSMJZDXEA-MERQFXBCSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 86814826
1-[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583154
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
2-[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]acetonitrile
CID 165180543
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 120999160
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
(3aR,7aS)-2-(4-ethylphenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43598536

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119993597) is (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is CCc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1.Cl.
What is the InChIKey of (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is RGTFKXSMJZDXEA-MERQFXBCSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-2-10-3-5-12(6-4-10)17(15,16)14-8-7-11(13)9-14;/h3-6,11H,2,7-9,13H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119993597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).