3-methyl-N-(methylcarbamothioyl)butanamide

C7H14N2OS — CID 24847571

IUPAC3-methyl-N-(methylcarbamothioyl)butanamide
SMILESCNC(=S)NC(=O)CC(C)C
InChIInChI=1S/C7H14N2OS/c1-5(2)4-6(10)9-7(11)8-3/h5H,4H2,1-3H3,(H2,8,9,10,11)
InChIKeyOIPQUMMKNJXCCV-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.65
Rot. Bonds2

About 3-methyl-N-(methylcarbamothioyl)butanamide

3-methyl-N-(methylcarbamothioyl)butanamide (PubChem CID 24847571) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-methyl-N-(methylcarbamothioyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(methylcarbamothioyl)butanamide
PubChem CID24847571
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name3-methyl-N-(methylcarbamothioyl)butanamide
SMILESCNC(=S)NC(=O)CC(C)C
InChIInChI=1S/C7H14N2OS/c1-5(2)4-6(10)9-7(11)8-3/h5H,4H2,1-3H3,(H2,8,9,10,11)
InChIKeyOIPQUMMKNJXCCV-UHFFFAOYSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.65
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

3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]butanamide
CID 17094034
dimethyl 5-(3-methylbutanoylcarbamothioylamino)benzene-1,3-dicarboxylate
CID 4941797
N-(azepane-1-carbothioyl)-3-methylbutanamide
CID 2949854
N-hydroxy-3-methylbutanamide
CID 13258739
3-methyl-N-[4-(propanoylcarbamothioylamino)phenyl]butanamide
CID 4635790
N-[(3,4-dimethoxyphenyl)carbamothioyl]-3-methylbutanamide
CID 54781521
N-iodo-3-methylbutanamide
CID 135276105
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-3-methylbutanamide
CID 19629285
2-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide
CID 17251758
3,4-dichloro-5-(3-methylbutanoylcarbamothioylamino)benzoic acid
CID 91688278

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(methylcarbamothioyl)butanamide?
The IUPAC name of 3-methyl-N-(methylcarbamothioyl)butanamide (CID 24847571) is 3-methyl-N-(methylcarbamothioyl)butanamide.
What is the SMILES notation for 3-methyl-N-(methylcarbamothioyl)butanamide?
The canonical SMILES for 3-methyl-N-(methylcarbamothioyl)butanamide is CNC(=S)NC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(methylcarbamothioyl)butanamide?
The InChIKey is OIPQUMMKNJXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-5(2)4-6(10)9-7(11)8-3/h5H,4H2,1-3H3,(H2,8,9,10,11).
What are the key properties of 3-methyl-N-(methylcarbamothioyl)butanamide?
3-methyl-N-(methylcarbamothioyl)butanamide has a molecular weight of 174.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(methylcarbamothioyl)butanamide is sourced from PubChem (CID 24847571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).