3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea

C7H14N2O3S — CID 3113016

IUPAC3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-9(2)7(10)8-6-3-4-13(11,12)5-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyCXNLWMNGJLNXLS-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.56
Rot. Bonds1

About 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea

3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea (PubChem CID 3113016) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea
PubChem CID3113016
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-9(2)7(10)8-6-3-4-13(11,12)5-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyCXNLWMNGJLNXLS-UHFFFAOYSA-N
XLogP-0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea 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 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea (CID 3113016) is 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea is CN(C)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea?
The InChIKey is CXNLWMNGJLNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-9(2)7(10)8-6-3-4-13(11,12)5-6/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea?
3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea has a molecular weight of 206.27 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-1,1-dimethylurea is sourced from PubChem (CID 3113016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).