2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide

C10H20N2O2S — CID 104551991

IUPAC2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
SMILESCCCC(C(=O)N(C)C(C)CO)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-5-8(9(11)15)10(14)12(3)7(2)6-13/h7-8,13H,4-6H2,1-3H3,(H2,11,15)
InChIKeyWNAKDYAKCPTBLU-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.53
Rot. Bonds6

About 2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide

2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide (PubChem CID 104551991) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
PubChem CID104551991
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
SMILESCCCC(C(=O)N(C)C(C)CO)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-5-8(9(11)15)10(14)12(3)7(2)6-13/h7-8,13H,4-6H2,1-3H3,(H2,11,15)
InChIKeyWNAKDYAKCPTBLU-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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Related Compounds

2-carbamothioyl-N-[1-(3-chlorophenyl)ethyl]-N-methylpentanamide
CID 62983984
3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide
CID 104551595
2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide
CID 112659658
2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide
CID 104551985
2-carbamothioyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 55172014
(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide
CID 104551700
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide
CID 62641517
2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
CID 104553323
2-carbamothioyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 79313782
2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide
CID 55259804

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide?
The IUPAC name of 2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide (CID 104551991) is 2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide is CCCC(C(=O)N(C)C(C)CO)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide?
The InChIKey is WNAKDYAKCPTBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-4-5-8(9(11)15)10(14)12(3)7(2)6-13/h7-8,13H,4-6H2,1-3H3,(H2,11,15).
What are the key properties of 2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide?
2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide 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-(1-hydroxypropan-2-yl)-N-methylpentanamide is sourced from PubChem (CID 104551991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).