N-cyclohexylethanethioamide;ethane

C10H21NS — CID 142134846

IUPACN-cyclohexylethanethioamide;ethane
SMILESCC.CC(=S)NC1CCCCC1
InChIInChI=1S/C8H15NS.C2H6/c1-7(10)9-8-5-3-2-4-6-8;1-2/h8H,2-6H2,1H3,(H,9,10);1-2H3
InChIKeyHIJGVDFAUSYYSB-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.28
Rot. Bonds1

About N-cyclohexylethanethioamide;ethane

N-cyclohexylethanethioamide;ethane (PubChem CID 142134846) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-cyclohexylethanethioamide;ethane.

Molecular Properties

Compound NameN-cyclohexylethanethioamide;ethane
PubChem CID142134846
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-cyclohexylethanethioamide;ethane
SMILESCC.CC(=S)NC1CCCCC1
InChIInChI=1S/C8H15NS.C2H6/c1-7(10)9-8-5-3-2-4-6-8;1-2/h8H,2-6H2,1H3,(H,9,10);1-2H3
InChIKeyHIJGVDFAUSYYSB-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexylethanethioamide;ethane 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

cyclooctylcarbamodithioic acid
CID 150069729
cycloheptylthiourea
CID 13433274
N-cycloheptylcycloheptanecarboxamide
CID 129091005
2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
CID 143490405
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-(2-sulfanylcyclooctyl)ethanethioamide
CID 147323967
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
N-cyclohexyl-2-oxopropanamide
CID 12861109
N-buta-2,3-dien-2-ylcyclohexanamine
CID 176535461
N-(cyclohexylcarbamothioyl)-3-methylbut-2-enamide
CID 45051482
3-(cyclohexylamino)-1-phenylbut-2-ene-1-thione
CID 87477337
1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
CID 43384781

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylethanethioamide;ethane?
The IUPAC name of N-cyclohexylethanethioamide;ethane (CID 142134846) is N-cyclohexylethanethioamide;ethane.
What is the SMILES notation for N-cyclohexylethanethioamide;ethane?
The canonical SMILES for N-cyclohexylethanethioamide;ethane is CC.CC(=S)NC1CCCCC1.
What is the InChIKey of N-cyclohexylethanethioamide;ethane?
The InChIKey is HIJGVDFAUSYYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-7(10)9-8-5-3-2-4-6-8;1-2/h8H,2-6H2,1H3,(H,9,10);1-2H3.
What are the key properties of N-cyclohexylethanethioamide;ethane?
N-cyclohexylethanethioamide;ethane has a molecular weight of 187.35 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylethanethioamide;ethane is sourced from PubChem (CID 142134846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).