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

C12H19ClN2O2S2 — CID 120706058

IUPAC1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCSc1ccccc1S(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C12H18N2O2S2.ClH/c1-17-11-6-2-3-7-12(11)18(15,16)14-8-4-5-10(13)9-14;/h2-3,6-7,10H,4-5,8-9,13H2,1H3;1H
InChIKeyZHFQJSLYGUKMRC-UHFFFAOYSA-N
MW322.88 g/mol
LogP1.94
Rot. Bonds3

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

1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120706058) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120706058
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC Name1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCSc1ccccc1S(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C12H18N2O2S2.ClH/c1-17-11-6-2-3-7-12(11)18(15,16)14-8-4-5-10(13)9-14;/h2-3,6-7,10H,4-5,8-9,13H2,1H3;1H
InChIKeyZHFQJSLYGUKMRC-UHFFFAOYSA-N
XLogP1.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470
1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959471
3-(2-methylsulfanylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120711799
1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120998770
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 165111775
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 120706058) is 1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride is CSc1ccccc1S(=O)(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is ZHFQJSLYGUKMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2.ClH/c1-17-11-6-2-3-7-12(11)18(15,16)14-8-4-5-10(13)9-14;/h2-3,6-7,10H,4-5,8-9,13H2,1H3;1H.
What are the key properties of 1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride?
1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120706058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).