N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride

C19H32ClN3O3S — CID 119571735

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-4-19(5-2,14-20)21-18(23)16-10-9-15(3)17(13-16)26(24,25)22-11-7-6-8-12-22;/h9-10,13H,4-8,11-12,14,20H2,1-3H3,(H,21,23);1H
InChIKeyCHTJHLLRSHQHAN-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.84
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride (PubChem CID 119571735) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
PubChem CID119571735
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-4-19(5-2,14-20)21-18(23)16-10-9-15(3)17(13-16)26(24,25)22-11-7-6-8-12-22;/h9-10,13H,4-8,11-12,14,20H2,1-3H3,(H,21,23);1H
InChIKeyCHTJHLLRSHQHAN-UHFFFAOYSA-N
XLogP2.84
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;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-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119571738
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119571500
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 119588472
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(1-amino-2-methylpropan-2-yl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 119522835
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-4-methylbenzamide;hydrochloride
CID 119571856

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride (CID 119571735) is N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride is CCC(CC)(CN)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The InChIKey is CHTJHLLRSHQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-4-19(5-2,14-20)21-18(23)16-10-9-15(3)17(13-16)26(24,25)22-11-7-6-8-12-22;/h9-10,13H,4-8,11-12,14,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119571735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).