2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide

C12H22N2OS — CID 64688447

IUPAC2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide
SMILESCCCC(C(=O)NC1(C)CCCC1)C(N)=S
InChIInChI=1S/C12H22N2OS/c1-3-6-9(10(13)16)11(15)14-12(2)7-4-5-8-12/h9H,3-8H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyZWQNWLVWAGOTBS-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.14
Rot. Bonds5

About 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide

2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide (PubChem CID 64688447) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide
PubChem CID64688447
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide
SMILESCCCC(C(=O)NC1(C)CCCC1)C(N)=S
InChIInChI=1S/C12H22N2OS/c1-3-6-9(10(13)16)11(15)14-12(2)7-4-5-8-12/h9H,3-8H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyZWQNWLVWAGOTBS-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.14
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-N-(2,2,3,3-tetramethylcyclopropyl)pentanamide
CID 79363056
2-amino-N-(1-methylcyclopropyl)pentanamide
CID 115734282
(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide
CID 103950943
2-carbamothioyl-N-(3-ethylpentan-2-yl)pentanamide
CID 55259804
2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104761692
N-(1-carbamothioylcycloheptyl)-2-propylpentanamide
CID 82984373
2-carbamothioyl-N-(3-methylsulfinylbutyl)pentanamide
CID 113490493
N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
CID 63755495
2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide
CID 55259925
N-(1-methylcyclohexyl)-2-sulfanylpropanamide
CID 107027312
ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate
CID 116538310
2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide
CID 62641517

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide?
The IUPAC name of 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide (CID 64688447) is 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide?
The canonical SMILES for 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide is CCCC(C(=O)NC1(C)CCCC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide?
The InChIKey is ZWQNWLVWAGOTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-6-9(10(13)16)11(15)14-12(2)7-4-5-8-12/h9H,3-8H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide?
2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide has a molecular weight of 242.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(1-methylcyclopentyl)pentanamide is sourced from PubChem (CID 64688447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).