2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide

C9H18N2O2S — CID 114291986

IUPAC2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CCO)C(N)=S
InChIInChI=1S/C9H18N2O2S/c1-4-9(2,7(10)14)8(13)11(3)5-6-12/h12H,4-6H2,1-3H3,(H2,10,14)
InChIKeyXAABWLMHBBGJSU-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.14
Rot. Bonds5

About 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide

2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide (PubChem CID 114291986) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide
PubChem CID114291986
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CCO)C(N)=S
InChIInChI=1S/C9H18N2O2S/c1-4-9(2,7(10)14)8(13)11(3)5-6-12/h12H,4-6H2,1-3H3,(H2,10,14)
InChIKeyXAABWLMHBBGJSU-UHFFFAOYSA-N
XLogP0.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide
CID 114242521
2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide
CID 114292308
2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 114291987
2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
CID 114292410
2-carbamothioyl-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 113270576
2-carbamothioyl-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659636
2-carbamothioyl-2-methyl-N-pentyl-N-propan-2-ylbutanamide
CID 114292127
N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide
CID 114292035
2-carbamothioyl-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 113270652
2-carbamothioyl-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 113270600
2-carbamothioyl-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 114292030
2-carbamothioyl-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 114292314

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide (CID 114291986) is 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide is CCC(C)(C(=O)N(C)CCO)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide?
The InChIKey is XAABWLMHBBGJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-4-9(2,7(10)14)8(13)11(3)5-6-12/h12H,4-6H2,1-3H3,(H2,10,14).
What are the key properties of 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide?
2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide has a molecular weight of 218.32 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 114291986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).