3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide

C13H19N3O3S — CID 120715451

IUPAC3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
SMILESCNC1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1
InChIInChI=1S/C13H19N3O3S/c1-15-11-5-3-7-16(9-11)20(18,19)12-6-2-4-10(8-12)13(14)17/h2,4,6,8,11,15H,3,5,7,9H2,1H3,(H2,14,17)
InChIKeyQDYWUTPRULAFBD-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.16
Rot. Bonds4

About 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide

3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide (PubChem CID 120715451) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
PubChem CID120715451
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
SMILESCNC1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1
InChIInChI=1S/C13H19N3O3S/c1-15-11-5-3-7-16(9-11)20(18,19)12-6-2-4-10(8-12)13(14)17/h2,4,6,8,11,15H,3,5,7,9H2,1H3,(H2,14,17)
InChIKeyQDYWUTPRULAFBD-UHFFFAOYSA-N
XLogP0.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 75431046
3-[(3R)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 119962387
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide
CID 119990219
3-(3-methoxypiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 102957915
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
methyl 2-methyl-5-[3-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120715034
1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride
CID 119959947
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
methyl 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoate
CID 142526570
1-(1,3-benzodioxol-5-ylsulfonyl)-N-methylpiperidin-3-amine
CID 110868407

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide (CID 120715451) is 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide is CNC1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is QDYWUTPRULAFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-15-11-5-3-7-16(9-11)20(18,19)12-6-2-4-10(8-12)13(14)17/h2,4,6,8,11,15H,3,5,7,9H2,1H3,(H2,14,17).
What are the key properties of 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide?
3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 297.38 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 120715451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).