4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide

C13H19N3O3S — CID 115312529

IUPAC4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(N)CCN1S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O3S/c1-9-8-11(14)6-7-16(9)20(18,19)12-4-2-10(3-5-12)13(15)17/h2-5,9,11H,6-8,14H2,1H3,(H2,15,17)
InChIKeyGYBWBFQLQPZTCL-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.29
Rot. Bonds3

About 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide

4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 115312529) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID115312529
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(N)CCN1S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O3S/c1-9-8-11(14)6-7-16(9)20(18,19)12-4-2-10(3-5-12)13(15)17/h2-5,9,11H,6-8,14H2,1H3,(H2,15,17)
InChIKeyGYBWBFQLQPZTCL-UHFFFAOYSA-N
XLogP0.29
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 115312519
(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
CID 124591921
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
2-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 141218443
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
(4-aminopiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119376603
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]benzamide
CID 40882510
4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 63606240
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
CID 126784254
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124692940
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
CID 115312618

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide (CID 115312529) is 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CC(N)CCN1S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is GYBWBFQLQPZTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-8-11(14)6-7-16(9)20(18,19)12-4-2-10(3-5-12)13(15)17/h2-5,9,11H,6-8,14H2,1H3,(H2,15,17).
What are the key properties of 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide?
4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 297.38 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 115312529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).