1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea

C15H16N2O3S — CID 3146698

IUPAC1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O3S/c18-15(16-12-8-9-21(19,20)10-12)17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2,(H2,16,17,18)
InChIKeyVGXSWBPKWNEUTC-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.15
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea

1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea (PubChem CID 3146698) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
PubChem CID3146698
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O3S/c18-15(16-12-8-9-21(19,20)10-12)17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2,(H2,16,17,18)
InChIKeyVGXSWBPKWNEUTC-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea 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-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea (CID 3146698) is 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea is O=C(Nc1cccc2ccccc12)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
The InChIKey is VGXSWBPKWNEUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-15(16-12-8-9-21(19,20)10-12)17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2,(H2,16,17,18).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea has a molecular weight of 304.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 3146698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).