N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

C19H30ClN3O3S — CID 119616294

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-13-6-9-16(26(24,25)22-10-4-3-5-14(22)2)11-17(13)19(23)21-18(12-20)15-7-8-15;/h6,9,11,14-15,18H,3-5,7-8,10,12,20H2,1-2H3,(H,21,23);1H
InChIKeyKURMQICYILCVGZ-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.45
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119616294) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119616294
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-13-6-9-16(26(24,25)22-10-4-3-5-14(22)2)11-17(13)19(23)21-18(12-20)15-7-8-15;/h6,9,11,14-15,18H,3-5,7-8,10,12,20H2,1-2H3,(H,21,23);1H
InChIKeyKURMQICYILCVGZ-UHFFFAOYSA-N
XLogP2.45
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-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

N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
methyl (2S)-3-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 55942554
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
N-(2-amino-1-cyclopropylethyl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119613306
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119614141
methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
CID 55609673
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463183
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55388786
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 47729092

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (CID 119616294) is N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is KURMQICYILCVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-13-6-9-16(26(24,25)22-10-4-3-5-14(22)2)11-17(13)19(23)21-18(12-20)15-7-8-15;/h6,9,11,14-15,18H,3-5,7-8,10,12,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119616294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).