N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide

C14H20N2OS — CID 62388710

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N(C)CC(C)C(N)=S)c1
InChIInChI=1S/C14H20N2OS/c1-10-5-4-6-12(7-10)8-13(17)16(3)9-11(2)14(15)18/h4-7,11H,8-9H2,1-3H3,(H2,15,18)
InChIKeyXBXWZLGZLNVSTR-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.92
Rot. Bonds5

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide (PubChem CID 62388710) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide
PubChem CID62388710
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N(C)CC(C)C(N)=S)c1
InChIInChI=1S/C14H20N2OS/c1-10-5-4-6-12(7-10)8-13(17)16(3)9-11(2)14(15)18/h4-7,11H,8-9H2,1-3H3,(H2,15,18)
InChIKeyXBXWZLGZLNVSTR-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-(3-methylphenyl)acetamide
CID 55067661
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 62537312
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 54991694
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54987956
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 54992117
2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62626750
N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide
CID 63225559
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 107205663
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
CID 63393863

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide (CID 62388710) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)N(C)CC(C)C(N)=S)c1.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide?
The InChIKey is XBXWZLGZLNVSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-5-4-6-12(7-10)8-13(17)16(3)9-11(2)14(15)18/h4-7,11H,8-9H2,1-3H3,(H2,15,18).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide has a molecular weight of 264.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 62388710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).