S-ethyl N-(1-cyclohexylethyl)carbamothioate

C11H21NOS — CID 88708512

IUPACS-ethyl N-(1-cyclohexylethyl)carbamothioate
SMILESCCSC(=O)NC(C)C1CCCCC1
InChIInChI=1S/C11H21NOS/c1-3-14-11(13)12-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyODVTZUKCEYGBAT-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.42
Rot. Bonds3

About S-ethyl N-(1-cyclohexylethyl)carbamothioate

S-ethyl N-(1-cyclohexylethyl)carbamothioate (PubChem CID 88708512) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is S-ethyl N-(1-cyclohexylethyl)carbamothioate.

Molecular Properties

Compound NameS-ethyl N-(1-cyclohexylethyl)carbamothioate
PubChem CID88708512
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameS-ethyl N-(1-cyclohexylethyl)carbamothioate
SMILESCCSC(=O)NC(C)C1CCCCC1
InChIInChI=1S/C11H21NOS/c1-3-14-11(13)12-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyODVTZUKCEYGBAT-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-ethyl N-(1-cyclohexylethyl)carbamothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of S-ethyl N-(1-cyclohexylethyl)carbamothioate?
The IUPAC name of S-ethyl N-(1-cyclohexylethyl)carbamothioate (CID 88708512) is S-ethyl N-(1-cyclohexylethyl)carbamothioate.
What is the SMILES notation for S-ethyl N-(1-cyclohexylethyl)carbamothioate?
The canonical SMILES for S-ethyl N-(1-cyclohexylethyl)carbamothioate is CCSC(=O)NC(C)C1CCCCC1.
What is the InChIKey of S-ethyl N-(1-cyclohexylethyl)carbamothioate?
The InChIKey is ODVTZUKCEYGBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-14-11(13)12-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of S-ethyl N-(1-cyclohexylethyl)carbamothioate?
S-ethyl N-(1-cyclohexylethyl)carbamothioate has a molecular weight of 215.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl N-(1-cyclohexylethyl)carbamothioate is sourced from PubChem (CID 88708512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).