N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride

C13H20BrClN2OS — CID 119585352

IUPACN-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCSc1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-10(9-15)16(2)13(17)7-8-18-12-5-3-11(14)4-6-12;/h3-6,10H,7-9,15H2,1-2H3;1H
InChIKeyLRXBXTNDLXWODM-UHFFFAOYSA-N
MW367.74 g/mol
LogP3.16
Rot. Bonds6

About N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride

N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride (PubChem CID 119585352) has the molecular formula C13H20BrClN2OS and a molecular weight of 367.74 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride
PubChem CID119585352
Molecular FormulaC13H20BrClN2OS
Molecular Weight367.74 g/mol
Exact Mass366.02
IUPAC NameN-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCSc1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-10(9-15)16(2)13(17)7-8-18-12-5-3-11(14)4-6-12;/h3-6,10H,7-9,15H2,1-2H3;1H
InChIKeyLRXBXTNDLXWODM-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide
CID 119582831
3-(4-bromophenyl)sulfanyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 55997750
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119609120
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
N-[(2S)-1-aminopropan-2-yl]-4-(4-bromophenyl)sulfanylbutanamide
CID 120507567
methyl 2-[3-(4-bromophenyl)sulfanylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56581084
3-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55997454
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
3-(4-bromophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119444658
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride (CID 119585352) is N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride is CC(CN)N(C)C(=O)CCSc1ccc(Br)cc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride?
The InChIKey is LRXBXTNDLXWODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS.ClH/c1-10(9-15)16(2)13(17)7-8-18-12-5-3-11(14)4-6-12;/h3-6,10H,7-9,15H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride?
N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride has a molecular weight of 367.74 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119585352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).