2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide

C14H26N2OS — CID 114292362

IUPAC2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CC(C)CC(C)C1)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-5-14(4,12(15)18)13(17)16-11-7-9(2)6-10(3)8-11/h9-11H,5-8H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyXJQIDDPDJXLDLM-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.63
Rot. Bonds4

About 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide

2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide (PubChem CID 114292362) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide
PubChem CID114292362
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CC(C)CC(C)C1)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-5-14(4,12(15)18)13(17)16-11-7-9(2)6-10(3)8-11/h9-11H,5-8H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyXJQIDDPDJXLDLM-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 64731743
2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide
CID 114292084
2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide
CID 113270686
2-carbamothioyl-2-methyl-N-(6-oxopiperidin-3-yl)butanamide
CID 113270650
2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide
CID 113270550
2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide
CID 64733504
2-carbamothioyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbutanamide
CID 114292411
2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 114329140
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
CID 103461801
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
CID 113270525
2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide
CID 114125492
2-amino-N-(3,5-dimethylcyclohexyl)-2-phenylpropanamide
CID 64732725

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide (CID 114292362) is 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide is CCC(C)(C(=O)NC1CC(C)CC(C)C1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide?
The InChIKey is XJQIDDPDJXLDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-14(4,12(15)18)13(17)16-11-7-9(2)6-10(3)8-11/h9-11H,5-8H2,1-4H3,(H2,15,18)(H,16,17).
What are the key properties of 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide?
2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide has a molecular weight of 270.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide is sourced from PubChem (CID 114292362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).