N-cyclohexylheptanethioamide

C13H25NS — CID 86239838

IUPACN-cyclohexylheptanethioamide
SMILESCCCCCCC(=S)NC1CCCCC1
InChIInChI=1S/C13H25NS/c1-2-3-4-8-11-13(15)14-12-9-6-5-7-10-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyZQAFPFPTKTYGGL-UHFFFAOYSA-N
MW227.42 g/mol
LogP4.21
Rot. Bonds6

About N-cyclohexylheptanethioamide

N-cyclohexylheptanethioamide (PubChem CID 86239838) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-cyclohexylheptanethioamide.

Molecular Properties

Compound NameN-cyclohexylheptanethioamide
PubChem CID86239838
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-cyclohexylheptanethioamide
SMILESCCCCCCC(=S)NC1CCCCC1
InChIInChI=1S/C13H25NS/c1-2-3-4-8-11-13(15)14-12-9-6-5-7-10-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyZQAFPFPTKTYGGL-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexylheptanethioamide 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

N-(cyclohexylcarbamothioyl)octanamide
CID 4958923
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
1-cyclopentyl-3-heptylthiourea
CID 19650876
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
(E)-N-cyclohexyloctadec-9-enamide
CID 10948482
N-cyclohexyl-2,3-dimethyltridec-2-enamide
CID 57248492
N-cyclohexylheptadecanamide;2,2-dimethylpropanal
CID 169187604
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cyclohexyldecan-1-one
CID 63409715
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylheptanethioamide?
The IUPAC name of N-cyclohexylheptanethioamide (CID 86239838) is N-cyclohexylheptanethioamide.
What is the SMILES notation for N-cyclohexylheptanethioamide?
The canonical SMILES for N-cyclohexylheptanethioamide is CCCCCCC(=S)NC1CCCCC1.
What is the InChIKey of N-cyclohexylheptanethioamide?
The InChIKey is ZQAFPFPTKTYGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-2-3-4-8-11-13(15)14-12-9-6-5-7-10-12/h12H,2-11H2,1H3,(H,14,15).
What are the key properties of N-cyclohexylheptanethioamide?
N-cyclohexylheptanethioamide has a molecular weight of 227.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylheptanethioamide is sourced from PubChem (CID 86239838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).