2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride

C18H30ClN3O3S — CID 119700333

IUPAC2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-3-14(2)17(19)18(22)20-13-15-9-5-6-10-16(15)25(23,24)21-11-7-4-8-12-21;/h5-6,9-10,14,17H,3-4,7-8,11-13,19H2,1-2H3,(H,20,22);1H
InChIKeyHNYDNXOPMILEIZ-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.27
Rot. Bonds7

About 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119700333) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
PubChem CID119700333
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC Name2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-3-14(2)17(19)18(22)20-13-15-9-5-6-10-16(15)25(23,24)21-11-7-4-8-12-21;/h5-6,9-10,14,17H,3-4,7-8,11-13,19H2,1-2H3,(H,20,22);1H
InChIKeyHNYDNXOPMILEIZ-UHFFFAOYSA-N
XLogP2.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;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-amino-2-(oxan-4-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 120785303
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine
CID 111123793
3-amino-2-methyl-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]butanamide
CID 120504037
1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 112829659
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111123792
1-[(1S)-1-(4-methylphenyl)propyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25487466
2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
CID 119688751
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25491593
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
3-amino-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]butanamide
CID 119888625
1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36967089
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride (CID 119700333) is 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is HNYDNXOPMILEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-3-14(2)17(19)18(22)20-13-15-9-5-6-10-16(15)25(23,24)21-11-7-4-8-12-21;/h5-6,9-10,14,17H,3-4,7-8,11-13,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119700333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).