3-cycloheptyl-N-ethylpropanethioamide

C12H23NS — CID 144615502

IUPAC3-cycloheptyl-N-ethylpropanethioamide
SMILESCCNC(=S)CCC1CCCCCC1
InChIInChI=1S/C12H23NS/c1-2-13-12(14)10-9-11-7-5-3-4-6-8-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyLBVZWOVYBVAOCO-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.67
Rot. Bonds4

About 3-cycloheptyl-N-ethylpropanethioamide

3-cycloheptyl-N-ethylpropanethioamide (PubChem CID 144615502) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 3-cycloheptyl-N-ethylpropanethioamide.

Molecular Properties

Compound Name3-cycloheptyl-N-ethylpropanethioamide
PubChem CID144615502
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name3-cycloheptyl-N-ethylpropanethioamide
SMILESCCNC(=S)CCC1CCCCCC1
InChIInChI=1S/C12H23NS/c1-2-13-12(14)10-9-11-7-5-3-4-6-8-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyLBVZWOVYBVAOCO-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-cycloheptyl-N-ethylpropanethioamide 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

methyl 3-cyclopentylpropanedithioate
CID 163390826
3-(2-cyclohexylethylamino)-N-ethylpropanamide
CID 62324401
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
1-(3-cyclopropylpropyl)-3-ethylthiourea
CID 115635630
2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine
CID 111947389
butylcyclohexane;N-methylmethanamine
CID 174941558
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
1-cyclohexylhexan-3-one
CID 10856142
propylcyclotetradecane
CID 90991550
[(Z)-6-cyclohexyl-3,4-difluorohex-3-enyl]cyclohexane
CID 101427944
4-cyclopentylbutylcyclohexane
CID 144547696

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-N-ethylpropanethioamide?
The IUPAC name of 3-cycloheptyl-N-ethylpropanethioamide (CID 144615502) is 3-cycloheptyl-N-ethylpropanethioamide.
What is the SMILES notation for 3-cycloheptyl-N-ethylpropanethioamide?
The canonical SMILES for 3-cycloheptyl-N-ethylpropanethioamide is CCNC(=S)CCC1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-N-ethylpropanethioamide?
The InChIKey is LBVZWOVYBVAOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-2-13-12(14)10-9-11-7-5-3-4-6-8-11/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of 3-cycloheptyl-N-ethylpropanethioamide?
3-cycloheptyl-N-ethylpropanethioamide has a molecular weight of 213.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-N-ethylpropanethioamide is sourced from PubChem (CID 144615502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).