2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide

C10H20N2O2S — CID 79378078

IUPAC2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
SMILESCCC(C(=O)N(C)CC(C)(C)O)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-5-7(8(11)15)9(13)12(4)6-10(2,3)14/h7,14H,5-6H2,1-4H3,(H2,11,15)
InChIKeyDQVLTZMFJDGBCD-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.53
Rot. Bonds5

About 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide

2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide (PubChem CID 79378078) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
PubChem CID79378078
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
SMILESCCC(C(=O)N(C)CC(C)(C)O)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-5-7(8(11)15)9(13)12(4)6-10(2,3)14/h7,14H,5-6H2,1-4H3,(H2,11,15)
InChIKeyDQVLTZMFJDGBCD-UHFFFAOYSA-N
XLogP0.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.53
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-hydroxy-2-methylpropyl)-N-methylbutanamide 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-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79377752
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide
CID 79377276
2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
CID 114292410
2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide
CID 112659658
N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide
CID 167219999
6-amino-4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylhexanamide
CID 79379037
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanethioamide
CID 79380798
2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
CID 102862520
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
2-carbamothioyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 55172014
2-(azepan-1-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111663081
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide (CID 79378078) is 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide is CCC(C(=O)N(C)CC(C)(C)O)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
The InChIKey is DQVLTZMFJDGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-5-7(8(11)15)9(13)12(4)6-10(2,3)14/h7,14H,5-6H2,1-4H3,(H2,11,15).
What are the key properties of 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide has a molecular weight of 232.35 g/mol, XLogP of 0.53, 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-hydroxy-2-methylpropyl)-N-methylbutanamide is sourced from PubChem (CID 79378078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).