2-tetradecylsulfanylethylurea

C17H36N2OS — CID 21260027

IUPAC2-tetradecylsulfanylethylurea
SMILESCCCCCCCCCCCCCCSCCNC(N)=O
InChIInChI=1S/C17H36N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-16-14-19-17(18)20/h2-16H2,1H3,(H3,18,19,20)
InChIKeyHPLHQORWHOGYHQ-UHFFFAOYSA-N
MW316.56 g/mol
LogP5.09
Rot. Bonds16

About 2-tetradecylsulfanylethylurea

2-tetradecylsulfanylethylurea (PubChem CID 21260027) has the molecular formula C17H36N2OS and a molecular weight of 316.56 g/mol. Its IUPAC name is 2-tetradecylsulfanylethylurea.

Molecular Properties

Compound Name2-tetradecylsulfanylethylurea
PubChem CID21260027
Molecular FormulaC17H36N2OS
Molecular Weight316.56 g/mol
Exact Mass316.25
IUPAC Name2-tetradecylsulfanylethylurea
SMILESCCCCCCCCCCCCCCSCCNC(N)=O
InChIInChI=1S/C17H36N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-16-14-19-17(18)20/h2-16H2,1H3,(H3,18,19,20)
InChIKeyHPLHQORWHOGYHQ-UHFFFAOYSA-N
XLogP5.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-tetradecylsulfanylethylurea 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 2-tetradecylsulfanylethylurea?
The IUPAC name of 2-tetradecylsulfanylethylurea (CID 21260027) is 2-tetradecylsulfanylethylurea.
What is the SMILES notation for 2-tetradecylsulfanylethylurea?
The canonical SMILES for 2-tetradecylsulfanylethylurea is CCCCCCCCCCCCCCSCCNC(N)=O.
What is the InChIKey of 2-tetradecylsulfanylethylurea?
The InChIKey is HPLHQORWHOGYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-16-14-19-17(18)20/h2-16H2,1H3,(H3,18,19,20).
What are the key properties of 2-tetradecylsulfanylethylurea?
2-tetradecylsulfanylethylurea has a molecular weight of 316.56 g/mol, XLogP of 5.09, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecylsulfanylethylurea is sourced from PubChem (CID 21260027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).