2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide

C11H22N2O2S — CID 114292410

IUPAC2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CC(C)(C)O)C(N)=S
InChIInChI=1S/C11H22N2O2S/c1-6-11(4,8(12)16)9(14)13(5)7-10(2,3)15/h15H,6-7H2,1-5H3,(H2,12,16)
InChIKeyOMSRWBDOCRLQCH-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.92
Rot. Bonds5

About 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide

2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide (PubChem CID 114292410) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
PubChem CID114292410
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CC(C)(C)O)C(N)=S
InChIInChI=1S/C11H22N2O2S/c1-6-11(4,8(12)16)9(14)13(5)7-10(2,3)15/h15H,6-7H2,1-5H3,(H2,12,16)
InChIKeyOMSRWBDOCRLQCH-UHFFFAOYSA-N
XLogP0.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.92
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,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

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide (CID 114292410) is 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide is CCC(C)(C(=O)N(C)CC(C)(C)O)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide?
The InChIKey is OMSRWBDOCRLQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-6-11(4,8(12)16)9(14)13(5)7-10(2,3)15/h15H,6-7H2,1-5H3,(H2,12,16).
What are the key properties of 2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide?
2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide has a molecular weight of 246.38 g/mol, XLogP of 0.92, 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,2-dimethylbutanamide is sourced from PubChem (CID 114292410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).