2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide

C15H28N2OS — CID 114292084

IUPAC2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide
SMILESCCCC1CCC(NC(=O)C(C)(CC)C(N)=S)CC1
InChIInChI=1S/C15H28N2OS/c1-4-6-11-7-9-12(10-8-11)17-14(18)15(3,5-2)13(16)19/h11-12H,4-10H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyGAFVTDHMOHNDFX-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.16
Rot. Bonds6

About 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide

2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide (PubChem CID 114292084) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide
PubChem CID114292084
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide
SMILESCCCC1CCC(NC(=O)C(C)(CC)C(N)=S)CC1
InChIInChI=1S/C15H28N2OS/c1-4-6-11-7-9-12(10-8-11)17-14(18)15(3,5-2)13(16)19/h11-12H,4-10H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyGAFVTDHMOHNDFX-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.16
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-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide
CID 114292362
2-carbamothioyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbutanamide
CID 114292411
3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
CID 119750378
2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide
CID 113270550
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
CID 113270525
2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide
CID 113270623
2-carbamothioyl-2-methyl-N-(6-oxopiperidin-3-yl)butanamide
CID 113270650
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid
CID 64700488
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843
N-(4-aminocyclohexyl)-2,2-dimethylbutanamide
CID 62678396

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide?
The IUPAC name of 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide (CID 114292084) is 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide?
The canonical SMILES for 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide is CCCC1CCC(NC(=O)C(C)(CC)C(N)=S)CC1.
What is the InChIKey of 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide?
The InChIKey is GAFVTDHMOHNDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-4-6-11-7-9-12(10-8-11)17-14(18)15(3,5-2)13(16)19/h11-12H,4-10H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide?
2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide has a molecular weight of 284.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide is sourced from PubChem (CID 114292084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).