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

C13H19BrN2OS — CID 119996572

IUPACN-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide
SMILESCC(CN)CNC(=O)CCSc1ccccc1Br
InChIInChI=1S/C13H19BrN2OS/c1-10(8-15)9-16-13(17)6-7-18-12-5-3-2-4-11(12)14/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyGVJYDKZAVCJKEA-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.64
Rot. Bonds7

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

N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide (PubChem CID 119996572) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide
PubChem CID119996572
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC NameN-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide
SMILESCC(CN)CNC(=O)CCSc1ccccc1Br
InChIInChI=1S/C13H19BrN2OS/c1-10(8-15)9-16-13(17)6-7-18-12-5-3-2-4-11(12)14/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyGVJYDKZAVCJKEA-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119627225
3-(2-bromophenyl)sulfanyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 49394136
N-[2-[3-(2-bromophenyl)sulfanylpropanoylamino]ethyl]benzamide
CID 55706659
N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 119995100
3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 47035598
3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55704570
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
CID 119996452
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide
CID 55704272
3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 55713227
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide (CID 119996572) is N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide is CC(CN)CNC(=O)CCSc1ccccc1Br.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide?
The InChIKey is GVJYDKZAVCJKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-10(8-15)9-16-13(17)6-7-18-12-5-3-2-4-11(12)14/h2-5,10H,6-9,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide?
N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide has a molecular weight of 331.28 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide is sourced from PubChem (CID 119996572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).