2-(3-methyl-N-methylsulfanylanilino)acetamide

C10H14N2OS — CID 142236942

IUPAC2-(3-methyl-N-methylsulfanylanilino)acetamide
SMILESCSN(CC(N)=O)c1cccc(C)c1
InChIInChI=1S/C10H14N2OS/c1-8-4-3-5-9(6-8)12(14-2)7-10(11)13/h3-6H,7H2,1-2H3,(H2,11,13)
InChIKeyNUWMAUQWFVKUED-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.56
Rot. Bonds4

About 2-(3-methyl-N-methylsulfanylanilino)acetamide

2-(3-methyl-N-methylsulfanylanilino)acetamide (PubChem CID 142236942) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfanylanilino)acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfanylanilino)acetamide
PubChem CID142236942
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(3-methyl-N-methylsulfanylanilino)acetamide
SMILESCSN(CC(N)=O)c1cccc(C)c1
InChIInChI=1S/C10H14N2OS/c1-8-4-3-5-9(6-8)12(14-2)7-10(11)13/h3-6H,7H2,1-2H3,(H2,11,13)
InChIKeyNUWMAUQWFVKUED-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-N-methylsulfanylcarbamoyl chloride
CID 176550648
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
1-(3-methylphenyl)-1-pentylurea
CID 3032149
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
butanamide;propane;1,3-xylene
CID 153379124
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfanylanilino)acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfanylanilino)acetamide (CID 142236942) is 2-(3-methyl-N-methylsulfanylanilino)acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfanylanilino)acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfanylanilino)acetamide is CSN(CC(N)=O)c1cccc(C)c1.
What is the InChIKey of 2-(3-methyl-N-methylsulfanylanilino)acetamide?
The InChIKey is NUWMAUQWFVKUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-4-3-5-9(6-8)12(14-2)7-10(11)13/h3-6H,7H2,1-2H3,(H2,11,13).
What are the key properties of 2-(3-methyl-N-methylsulfanylanilino)acetamide?
2-(3-methyl-N-methylsulfanylanilino)acetamide has a molecular weight of 210.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfanylanilino)acetamide is sourced from PubChem (CID 142236942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).