2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide

C14H26N2OS — CID 113270686

IUPAC2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide
SMILESCCC(C)(C(=O)NC1CCCCCC1C)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-4-14(3,12(15)18)13(17)16-11-9-7-5-6-8-10(11)2/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRDJHVHKEHNEUBU-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.77
Rot. Bonds4

About 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide

2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide (PubChem CID 113270686) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide
PubChem CID113270686
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide
SMILESCCC(C)(C(=O)NC1CCCCCC1C)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-4-14(3,12(15)18)13(17)16-11-9-7-5-6-8-10(11)2/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRDJHVHKEHNEUBU-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide
CID 113270550
2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide
CID 114292362
2-(ethylamino)-2-methyl-N-(2-methylcyclohexyl)propanamide
CID 62832663
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
CID 113270525
2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide
CID 114292084
2-methoxy-2-methyl-N-(2-methylcycloheptyl)propanamide
CID 103714354
(2-methylcyclohexyl)urea
CID 3345444
2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 79801007
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
(2-methylcyclopentyl)urea
CID 63281869
2-carbamothioyl-2-methyl-N-(6-oxopiperidin-3-yl)butanamide
CID 113270650
N-(2-aminocycloheptyl)-2,2-dimethylbutanamide
CID 63258190

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide?
The IUPAC name of 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide (CID 113270686) is 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide?
The canonical SMILES for 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide is CCC(C)(C(=O)NC1CCCCCC1C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide?
The InChIKey is RDJHVHKEHNEUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-14(3,12(15)18)13(17)16-11-9-7-5-6-8-10(11)2/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide?
2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide has a molecular weight of 270.44 g/mol, XLogP of 2.77, 4 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-(2-methylcycloheptyl)butanamide is sourced from PubChem (CID 113270686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).