2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide

C13H24N2OS — CID 113270525

IUPAC2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)NCCC1CCCC1)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-3-13(2,11(14)17)12(16)15-9-8-10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyKMFOUQYTHBXFAT-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.39
Rot. Bonds6

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

2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide (PubChem CID 113270525) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
PubChem CID113270525
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)NCCC1CCCC1)C(N)=S
InChIInChI=1S/C13H24N2OS/c1-3-13(2,11(14)17)12(16)15-9-8-10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyKMFOUQYTHBXFAT-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.39
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-(oxolan-2-yl)ethyl]butanamide
CID 113270597
2-amino-N-(2-cyclopentylethyl)-2-cyclopropylpropanamide
CID 60919572
2-carbamothioyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbutanamide
CID 114292411
2-carbamothioyl-2-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 114291851
2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide
CID 114292084
2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide
CID 113270550
2-carbamothioyl-2-methyl-N-(2-methylcycloheptyl)butanamide
CID 113270686
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
CID 106237122
2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide
CID 114125492
2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 113270602
2-carbamothioyl-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 114292186
2-carbamothioyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113270513

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide (CID 113270525) is 2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide is CCC(C)(C(=O)NCCC1CCCC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide?
The InChIKey is KMFOUQYTHBXFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-13(2,11(14)17)12(16)15-9-8-10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide?
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide has a molecular weight of 256.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide is sourced from PubChem (CID 113270525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).