2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide

C14H26N2OS — CID 113270550

IUPAC2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide
SMILESCCC1CCCCC1NC(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-4-10-8-6-7-9-11(10)16-13(17)14(3,5-2)12(15)18/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyPWFHIQZWEFPIIY-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.77
Rot. Bonds5

About 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide

2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide (PubChem CID 113270550) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide
PubChem CID113270550
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide
SMILESCCC1CCCCC1NC(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-4-10-8-6-7-9-11(10)16-13(17)14(3,5-2)12(15)18/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyPWFHIQZWEFPIIY-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.77
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

2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide
CID 113270686
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 63680548
2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide
CID 114292084
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
CID 113270525
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide
CID 114292362
2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide
CID 80555199
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
2-[(2-ethylcyclohexyl)amino]-2-methylpropanamide
CID 63863215
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116
N-(2-ethylcyclopentyl)acetamide
CID 130891213
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide (CID 113270550) is 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide is CCC1CCCCC1NC(=O)C(C)(CC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide?
The InChIKey is PWFHIQZWEFPIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-10-8-6-7-9-11(10)16-13(17)14(3,5-2)12(15)18/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide?
2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide has a molecular weight of 270.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide is sourced from PubChem (CID 113270550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).