N-(cyclohexylcarbamothioyl)octanamide

C15H28N2OS — CID 4958923

IUPACN-(cyclohexylcarbamothioyl)octanamide
SMILESCCCCCCCC(=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C15H28N2OS/c1-2-3-4-5-9-12-14(18)17-15(19)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3,(H2,16,17,18,19)
InChIKeyXTGOTMZRCRSGDC-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.67
Rot. Bonds7

About N-(cyclohexylcarbamothioyl)octanamide

N-(cyclohexylcarbamothioyl)octanamide (PubChem CID 4958923) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)octanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)octanamide
PubChem CID4958923
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(cyclohexylcarbamothioyl)octanamide
SMILESCCCCCCCC(=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C15H28N2OS/c1-2-3-4-5-9-12-14(18)17-15(19)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3,(H2,16,17,18,19)
InChIKeyXTGOTMZRCRSGDC-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(E)-N-cyclohexyloctadec-9-enamide
CID 10948482
N-cyclohexylheptadecanamide;2,2-dimethylpropanal
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1-cyclopentyl-3-heptylthiourea
CID 19650876
2-chloro-N-cyclohexyl-5-(heptanoylcarbamothioylamino)benzamide
CID 54789372
3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide
CID 4934359
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)octanamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)octanamide (CID 4958923) is N-(cyclohexylcarbamothioyl)octanamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)octanamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)octanamide is CCCCCCCC(=O)NC(=S)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamothioyl)octanamide?
The InChIKey is XTGOTMZRCRSGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-2-3-4-5-9-12-14(18)17-15(19)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(cyclohexylcarbamothioyl)octanamide?
N-(cyclohexylcarbamothioyl)octanamide has a molecular weight of 284.47 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamothioyl)octanamide is sourced from PubChem (CID 4958923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).