N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide

C13H19ClN2OS — CID 119582831

IUPACN-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide
SMILESCC(CN)N(C)C(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2OS/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
InChIKeyYJLHCSCKEFSBGL-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.63
Rot. Bonds6

About N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide

N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 119582831) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide
PubChem CID119582831
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide
SMILESCC(CN)N(C)C(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2OS/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
InChIKeyYJLHCSCKEFSBGL-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-3-(4-bromophenyl)sulfanyl-N-methylpropanamide;hydrochloride
CID 119585352
4-(4-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylbutanamide
CID 78843977
3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide
CID 62334608
2-[3-(4-chlorophenyl)sulfanylpropanoyl-methylamino]acetic acid
CID 43092152
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
N-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 55595194
2-[3-(4-chlorophenyl)sulfanylpropanoyl-(2-methylpropyl)amino]acetic acid
CID 63072580
N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-(1-aminopropan-2-yl)-3-(4-chloro-2-nitrophenoxy)-N-methylpropanamide
CID 119583214

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide (CID 119582831) is N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide is CC(CN)N(C)C(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is YJLHCSCKEFSBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/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.
What are the key properties of N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide?
N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 286.83 g/mol, XLogP of 2.63, 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-chlorophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 119582831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).