2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile

C12H15N3O2S — CID 43096470

IUPAC2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C12H15N3O2S/c13-8-10-4-1-2-6-12(10)18(16,17)15-7-3-5-11(14)9-15/h1-2,4,6,11H,3,5,7,9,14H2
InChIKeyKQTHAAWPKSDQHY-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.67
Rot. Bonds2

About 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile

2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile (PubChem CID 43096470) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
PubChem CID43096470
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C12H15N3O2S/c13-8-10-4-1-2-6-12(10)18(16,17)15-7-3-5-11(14)9-15/h1-2,4,6,11H,3,5,7,9,14H2
InChIKeyKQTHAAWPKSDQHY-UHFFFAOYSA-N
XLogP0.67
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3-oxoazepan-1-yl)sulfonylbenzonitrile
CID 18445246
2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 62358133
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
2-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 63264321
1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706058
2-(2-aminoazepan-1-yl)sulfonylbenzonitrile
CID 64560346
2-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 110638544
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)benzonitrile
CID 66371644
2-(3-methyl-4-oxopiperidin-1-yl)sulfonylbenzonitrile
CID 114500080
2-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]sulfonylbenzonitrile
CID 155981899

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile?
The IUPAC name of 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile (CID 43096470) is 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile is N#Cc1ccccc1S(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile?
The InChIKey is KQTHAAWPKSDQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-8-10-4-1-2-6-12(10)18(16,17)15-7-3-5-11(14)9-15/h1-2,4,6,11H,3,5,7,9,14H2.
What are the key properties of 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile?
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile has a molecular weight of 265.34 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile is sourced from PubChem (CID 43096470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).