3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea

C7H12N2O3S — CID 3119467

IUPAC3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C7H12N2O3S/c1-9(2)7(10)8-6-3-4-13(11,12)5-6/h3-4,6H,5H2,1-2H3,(H,8,10)
InChIKeyUHOQIDMEZMQGLE-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.43
Rot. Bonds1

About 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea

3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea (PubChem CID 3119467) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea
PubChem CID3119467
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C7H12N2O3S/c1-9(2)7(10)8-6-3-4-13(11,12)5-6/h3-4,6H,5H2,1-2H3,(H,8,10)
InChIKeyUHOQIDMEZMQGLE-UHFFFAOYSA-N
XLogP-0.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Bromo-4-ureido-2-thiolene 1,1-dioxide
CID 4287588
1-(1,1-Dioxo-2,3-dihydrothiophen-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115583165
1-(1,1-Dioxido-2,3-dihydrothiophen-3-yl)urea
CID 2831187
1-ethyl-3-[(3R)-1-methylsulfonylhex-5-en-3-yl]urea
CID 175926156
1,3-Bis(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 3420313
3-(1,1-Dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylthiourea
CID 3721039
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-prop-2-en-1-ylurea
CID 4594145
1-[(3R)-1,1-dioxothiolan-3-yl]-3-prop-2-enylurea
CID 7039068
1-[(3S)-1,1-dioxothiolan-3-yl]-3-prop-2-enylurea
CID 7357968
3-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1,1-dimethylurea
CID 7385711
3-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1,1-dimethylurea
CID 7385713
[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]urea
CID 7431321

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea (CID 3119467) is 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea is CN(C)C(=O)NC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea?
The InChIKey is UHOQIDMEZMQGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-9(2)7(10)8-6-3-4-13(11,12)5-6/h3-4,6H,5H2,1-2H3,(H,8,10).
What are the key properties of 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea?
3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea has a molecular weight of 204.25 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1,1-dimethylurea is sourced from PubChem (CID 3119467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).