1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride

C13H21ClN2O2S — CID 120706008

IUPAC1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCCc1ccccc1S(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-2-11-6-3-4-8-13(11)18(16,17)15-9-5-7-12(14)10-15;/h3-4,6,8,12H,2,5,7,9-10,14H2,1H3;1H
InChIKeyQYWNWZFKBWKVEL-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.78
Rot. Bonds3

About 1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride

1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120706008) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120706008
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCCc1ccccc1S(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-2-11-6-3-4-8-13(11)18(16,17)15-9-5-7-12(14)10-15;/h3-4,6,8,12H,2,5,7,9-10,14H2,1H3;1H
InChIKeyQYWNWZFKBWKVEL-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

1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706058
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-ethyl-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 119959916
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959471
1-(2-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 120716572
1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 120710068
1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120998770
1-(2-ethylphenyl)sulfonyl-3-methylpiperazine
CID 120710396
1-[2-(chloromethyl)phenyl]sulfonyl-3-(methoxymethyl)piperidine
CID 106589952

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 120706008) is 1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride is CCc1ccccc1S(=O)(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is QYWNWZFKBWKVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-2-11-6-3-4-8-13(11)18(16,17)15-9-5-7-12(14)10-15;/h3-4,6,8,12H,2,5,7,9-10,14H2,1H3;1H.
What are the key properties of 1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
1-(2-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-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120706008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).