N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide

C16H26N2O3S2 — CID 119627451

IUPACN-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)NCC(C)(C)N
InChIInChI=1S/C16H26N2O3S2/c1-5-10-23(20,21)14-9-7-6-8-13(14)22-12(2)15(19)18-11-16(3,4)17/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyNIZHPDGJUKELFM-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.20
Rot. Bonds8

About N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide

N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide (PubChem CID 119627451) has the molecular formula C16H26N2O3S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
PubChem CID119627451
Molecular FormulaC16H26N2O3S2
Molecular Weight358.53 g/mol
Exact Mass358.14
IUPAC NameN-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)NCC(C)(C)N
InChIInChI=1S/C16H26N2O3S2/c1-5-10-23(20,21)14-9-7-6-8-13(14)22-12(2)15(19)18-11-16(3,4)17/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyNIZHPDGJUKELFM-UHFFFAOYSA-N
XLogP2.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119431118
N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119522650
N-[2-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 120832590
2-(2-propylsulfonylphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511529
N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119387404
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119654069
N-(2-imidazol-1-ylphenyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
CID 86898458
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide
CID 119442348
N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62026306
N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide
CID 119628134

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide (CID 119627451) is N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide is CCCS(=O)(=O)c1ccccc1SC(C)C(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
The InChIKey is NIZHPDGJUKELFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S2/c1-5-10-23(20,21)14-9-7-6-8-13(14)22-12(2)15(19)18-11-16(3,4)17/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide has a molecular weight of 358.53 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide is sourced from PubChem (CID 119627451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).