N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride

C13H20BrClN2OS — CID 119627225

IUPACN-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CCSc1ccccc1Br.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-13(2,15)9-16-12(17)7-8-18-11-6-4-3-5-10(11)14;/h3-6H,7-9,15H2,1-2H3,(H,16,17);1H
InChIKeyAXZOYCIEARACPH-UHFFFAOYSA-N
MW367.74 g/mol
LogP3.21
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119627225) has the molecular formula C13H20BrClN2OS and a molecular weight of 367.74 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
PubChem CID119627225
Molecular FormulaC13H20BrClN2OS
Molecular Weight367.74 g/mol
Exact Mass366.02
IUPAC NameN-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CCSc1ccccc1Br.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-13(2,15)9-16-12(17)7-8-18-11-6-4-3-5-10(11)14;/h3-6H,7-9,15H2,1-2H3,(H,16,17);1H
InChIKeyAXZOYCIEARACPH-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide
CID 119996572
3-(2-bromophenyl)sulfanyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 49394136
3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 47035598
N-[2-[3-(2-bromophenyl)sulfanylpropanoylamino]ethyl]benzamide
CID 55706659
methyl 2-[3-(2-bromophenyl)sulfanylpropanoylamino]benzoate
CID 55752693
3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55704570
N-[2-[3-(2-bromophenyl)sulfanylpropanoylamino]phenyl]benzamide
CID 55934002
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide
CID 55704272
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
3-(2-bromophenyl)sulfanyl-N-[2-(2-cyano-3-fluoroanilino)ethyl]propanamide
CID 55972616
2-[3-(2-bromophenyl)sulfanylpropanoyl-methylamino]-2-methylpropanoic acid
CID 119200304
N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide
CID 119653858

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride (CID 119627225) is N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride is CC(C)(N)CNC(=O)CCSc1ccccc1Br.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is AXZOYCIEARACPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS.ClH/c1-13(2,15)9-16-12(17)7-8-18-11-6-4-3-5-10(11)14;/h3-6H,7-9,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 367.74 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119627225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).