N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride

C16H27ClN2O3S2 — CID 119522650

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C16H26N2O3S2.ClH/c1-5-10-23(20,21)14-9-7-6-8-13(14)22-12(2)15(19)18-16(3,4)11-17;/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19);1H
InChIKeyWCCSPCASAJHHKG-UHFFFAOYSA-N
MW394.99 g/mol
LogP2.63
Rot. Bonds8

About N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119522650) has the molecular formula C16H27ClN2O3S2 and a molecular weight of 394.99 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
PubChem CID119522650
Molecular FormulaC16H27ClN2O3S2
Molecular Weight394.99 g/mol
Exact Mass394.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C16H26N2O3S2.ClH/c1-5-10-23(20,21)14-9-7-6-8-13(14)22-12(2)15(19)18-16(3,4)11-17;/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19);1H
InChIKeyWCCSPCASAJHHKG-UHFFFAOYSA-N
XLogP2.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.99
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;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-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
CID 119627451
N-[3-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119431118
N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119387404
N-[2-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 120832590
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119654069
2-(2-propylsulfonylphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511529
N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
CID 86898458
(2-propylsulfonylphenyl)methanamine;hydrochloride
CID 68816477
N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide
CID 119442348
1-[(2-propylsulfonylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115445689
N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62028576
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride (CID 119522650) is N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride is CCCS(=O)(=O)c1ccccc1SC(C)C(=O)NC(C)(C)CN.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is WCCSPCASAJHHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S2.ClH/c1-5-10-23(20,21)14-9-7-6-8-13(14)22-12(2)15(19)18-16(3,4)11-17;/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 394.99 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119522650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).