(1-carbamothioylcyclooctyl)urea

C10H19N3OS — CID 61122180

IUPAC(1-carbamothioylcyclooctyl)urea
SMILESNC(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C10H19N3OS/c11-8(15)10(13-9(12)14)6-4-2-1-3-5-7-10/h1-7H2,(H2,11,15)(H3,12,13,14)
InChIKeyIYNQLDJTOIEITN-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.42
Rot. Bonds2

About (1-carbamothioylcyclooctyl)urea

(1-carbamothioylcyclooctyl)urea (PubChem CID 61122180) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (1-carbamothioylcyclooctyl)urea.

Molecular Properties

Compound Name(1-carbamothioylcyclooctyl)urea
PubChem CID61122180
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(1-carbamothioylcyclooctyl)urea
SMILESNC(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C10H19N3OS/c11-8(15)10(13-9(12)14)6-4-2-1-3-5-7-10/h1-7H2,(H2,11,15)(H3,12,13,14)
InChIKeyIYNQLDJTOIEITN-UHFFFAOYSA-N
XLogP1.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-carbamothioylcyclooctyl)urea 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 (1-carbamothioylcyclooctyl)urea?
The IUPAC name of (1-carbamothioylcyclooctyl)urea (CID 61122180) is (1-carbamothioylcyclooctyl)urea.
What is the SMILES notation for (1-carbamothioylcyclooctyl)urea?
The canonical SMILES for (1-carbamothioylcyclooctyl)urea is NC(=O)NC1(C(N)=S)CCCCCCC1.
What is the InChIKey of (1-carbamothioylcyclooctyl)urea?
The InChIKey is IYNQLDJTOIEITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c11-8(15)10(13-9(12)14)6-4-2-1-3-5-7-10/h1-7H2,(H2,11,15)(H3,12,13,14).
What are the key properties of (1-carbamothioylcyclooctyl)urea?
(1-carbamothioylcyclooctyl)urea has a molecular weight of 229.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamothioylcyclooctyl)urea is sourced from PubChem (CID 61122180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).