1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride

C13H21ClN2O2S — CID 119959888

IUPAC1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-2-11-5-7-13(8-6-11)18(16,17)15-9-3-4-12(14)10-15;/h5-8,12H,2-4,9-10,14H2,1H3;1H
InChIKeyCUSSNDHRYNUUEX-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.78
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride

1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 119959888) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID119959888
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-2-11-5-7-13(8-6-11)18(16,17)15-9-3-4-12(14)10-15;/h5-8,12H,2-4,9-10,14H2,1H3;1H
InChIKeyCUSSNDHRYNUUEX-UHFFFAOYSA-N
XLogP1.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.78
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-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120706026
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
CID 43605483
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
1-[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583154
1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
(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 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 119959888) is 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride is CCc1ccc(S(=O)(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is CUSSNDHRYNUUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-2-11-5-7-13(8-6-11)18(16,17)15-9-3-4-12(14)10-15;/h5-8,12H,2-4,9-10,14H2,1H3;1H.
What are the key properties of 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119959888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).