2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide

C13H19ClN2OS — CID 66226083

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(CN)CSCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-10(6-15)8-18-9-13(17)16-7-11-4-2-3-5-12(11)14/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyYOMNZKXCVYSPBV-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.28
Rot. Bonds7

About 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide

2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 66226083) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID66226083
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(CN)CSCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-10(6-15)8-18-9-13(17)16-7-11-4-2-3-5-12(11)14/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyYOMNZKXCVYSPBV-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 3354065
N-[(2-chlorophenyl)methyl]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 126154095
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 66219214
2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 66225874
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
CID 114227270
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide (CID 66226083) is 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide is CC(CN)CSCC(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is YOMNZKXCVYSPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-10(6-15)8-18-9-13(17)16-7-11-4-2-3-5-12(11)14/h2-5,10H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 286.83 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 66226083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).