(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C14H23ClN2O2S — CID 86814826

IUPAC(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1CC.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-11-5-6-14(9-12(11)4-2)19(17,18)16-8-7-13(15)10-16;/h5-6,9,13H,3-4,7-8,10,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyFKJCCIWPLGZDCB-ZOWNYOTGSA-N
MW318.87 g/mol
LogP1.95
Rot. Bonds4

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

(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 86814826) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is (3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID86814826
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1CC.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-11-5-6-14(9-12(11)4-2)19(17,18)16-8-7-13(15)10-16;/h5-6,9,13H,3-4,7-8,10,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyFKJCCIWPLGZDCB-ZOWNYOTGSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
[1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623881
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 120999160
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 86814826) is (3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is CCc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1CC.Cl.
What is the InChIKey of (3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is FKJCCIWPLGZDCB-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-3-11-5-6-14(9-12(11)4-2)19(17,18)16-8-7-13(15)10-16;/h5-6,9,13H,3-4,7-8,10,15H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 86814826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).