N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide

C12H15ClN2OS — CID 62503915

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide
SMILESCC(C)(NC(=O)Cc1cccc(Cl)c1)C(N)=S
InChIInChI=1S/C12H15ClN2OS/c1-12(2,11(14)17)15-10(16)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyHMBYGAJHGHBHOT-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.06
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide (PubChem CID 62503915) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide
PubChem CID62503915
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide
SMILESCC(C)(NC(=O)Cc1cccc(Cl)c1)C(N)=S
InChIInChI=1S/C12H15ClN2OS/c1-12(2,11(14)17)15-10(16)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyHMBYGAJHGHBHOT-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626
3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261502
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
2-(3-chlorophenyl)-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105059159
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
CID 62668200
2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide
CID 143657738
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-chloro-2-methylbenzamide
CID 82883904
2-(3-chlorophenyl)-N-(2-naphthalen-2-ylpropan-2-yl)acetamide
CID 15590855
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid
CID 134589022

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide (CID 62503915) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide is CC(C)(NC(=O)Cc1cccc(Cl)c1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide?
The InChIKey is HMBYGAJHGHBHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-12(2,11(14)17)15-10(16)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide has a molecular weight of 270.78 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 62503915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).