2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide

C10H20N2O2S — CID 114291987

IUPAC2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide
SMILESCCN(CCO)C(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-10(3,8(11)15)9(14)12(5-2)6-7-13/h13H,4-7H2,1-3H3,(H2,11,15)
InChIKeyQACROCLSXOFJHK-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.53
Rot. Bonds6

About 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide

2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide (PubChem CID 114291987) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide
PubChem CID114291987
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide
SMILESCCN(CCO)C(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-10(3,8(11)15)9(14)12(5-2)6-7-13/h13H,4-7H2,1-3H3,(H2,11,15)
InChIKeyQACROCLSXOFJHK-UHFFFAOYSA-N
XLogP0.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide (CID 114291987) is 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide is CCN(CCO)C(=O)C(C)(CC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide?
The InChIKey is QACROCLSXOFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-4-10(3,8(11)15)9(14)12(5-2)6-7-13/h13H,4-7H2,1-3H3,(H2,11,15).
What are the key properties of 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide?
2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide has a molecular weight of 232.35 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide is sourced from PubChem (CID 114291987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).