N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride

C18H30ClN3O3S — CID 120715260

IUPACN-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCCC(NC)C1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-5-12-20(3)18(22)16-10-6-7-11-17(16)25(23,24)21-13-8-9-15(14-21)19-2;/h6-7,10-11,15,19H,4-5,8-9,12-14H2,1-3H3;1H
InChIKeyDOOFEDYQGCMGME-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.35
Rot. Bonds7

About N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride

N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride (PubChem CID 120715260) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
PubChem CID120715260
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCCC(NC)C1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-5-12-20(3)18(22)16-10-6-7-11-17(16)25(23,24)21-13-8-9-15(14-21)19-2;/h6-7,10-11,15,19H,4-5,8-9,12-14H2,1-3H3;1H
InChIKeyDOOFEDYQGCMGME-UHFFFAOYSA-N
XLogP2.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-butyl-N-methylbenzamide;hydrochloride
CID 119971953
2-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 120665321
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 120725952
N-butyl-N-methyl-2-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]sulfamoyl]benzamide
CID 100640927
[2-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]-phenylmethanone
CID 120999319
N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 119965750
N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
CID 71974641
[2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999042
N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide
CID 78795855
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824520

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The IUPAC name of N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride (CID 120715260) is N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride is CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCCC(NC)C1.Cl.
What is the InChIKey of N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The InChIKey is DOOFEDYQGCMGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-4-5-12-20(3)18(22)16-10-6-7-11-17(16)25(23,24)21-13-8-9-15(14-21)19-2;/h6-7,10-11,15,19H,4-5,8-9,12-14H2,1-3H3;1H.
What are the key properties of N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 120715260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).