O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate

C10H17NOS — CID 177117688

IUPACO-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate
SMILESCNC(=S)OC1/C=C\CCCCC1
InChIInChI=1S/C10H17NOS/c1-11-10(13)12-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3,(H,11,13)/b7-5-
InChIKeyYPOGWUADRXRKJN-ALCCZGGFSA-N
MW199.32 g/mol
LogP2.40
Rot. Bonds1

About O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate

O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate (PubChem CID 177117688) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate.

Molecular Properties

Compound NameO-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate
PubChem CID177117688
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameO-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate
SMILESCNC(=S)OC1/C=C\CCCCC1
InChIInChI=1S/C10H17NOS/c1-11-10(13)12-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3,(H,11,13)/b7-5-
InChIKeyYPOGWUADRXRKJN-ALCCZGGFSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate 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

CID 156530937
CID 156530937
CID 10965862
CID 10965862
CID 11020235
CID 11020235
CID 11105811
CID 11105811
CID 11805442
CID 11805442
CID 12037792
CID 12037792
CID 93234072
CID 93234072
CID 93234073
CID 93234073
CID 100979351
CID 100979351
CID 100979352
CID 100979352
CID 100979353
CID 100979353

Frequently Asked Questions

What is the IUPAC name of O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate?
The IUPAC name of O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate (CID 177117688) is O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate.
What is the SMILES notation for O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate?
The canonical SMILES for O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate is CNC(=S)OC1/C=C\CCCCC1.
What is the InChIKey of O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate?
The InChIKey is YPOGWUADRXRKJN-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H17NOS/c1-11-10(13)12-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3,(H,11,13)/b7-5-.
What are the key properties of O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate?
O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate has a molecular weight of 199.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2E)-cyclooct-2-en-1-yl] N-methylcarbamothioate is sourced from PubChem (CID 177117688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).