N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

C19H32ClN3O3S — CID 119570056

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-4-19(5-2,14-20)21-18(23)16-10-12-22(13-11-16)26(24,25)17-8-6-15(3)7-9-17;/h6-9,16H,4-5,10-14,20H2,1-3H3,(H,21,23);1H
InChIKeyDDNXICZSPLTJDN-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.45
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119570056) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119570056
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-4-19(5-2,14-20)21-18(23)16-10-12-22(13-11-16)26(24,25)17-8-6-15(3)7-9-17;/h6-9,16H,4-5,10-14,20H2,1-3H3,(H,21,23);1H
InChIKeyDDNXICZSPLTJDN-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;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]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119569489
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119598626
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 119598627
N-[3-(aminomethyl)pentan-3-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 119568726
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119666450
N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5007860
1-(4-fluorophenyl)sulfonyl-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 1455647
ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55609575
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119573994
N-(1-amino-2-methylpropan-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
CID 119523274

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (CID 119570056) is N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DDNXICZSPLTJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-4-19(5-2,14-20)21-18(23)16-10-12-22(13-11-16)26(24,25)17-8-6-15(3)7-9-17;/h6-9,16H,4-5,10-14,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.45, 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]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119570056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).