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

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Related Compounds

1-Isopropyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831179
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylurea
CID 274896
(1,1-Dioxo-1lambda6-thiolan-3-yl)urea
CID 3091620
N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
CID 93913810
3-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-methyl-1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831171
1,1-Dibutyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831178
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1,3,3-trimethylurea
CID 3152337
(S)-3-(3,3-dibutylureido)-3-methyl-1lambda-tetrahydro-1H-thiophene-1,1-dione
CID 40481427
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-isopropyl-1-methylurea
CID 47236061
N-(2-ethylsulfonylethyl)pyrrolidine-1-carboxamide
CID 60235265
1-Ethyl-1-(1-ethylsulfonylpropan-2-yl)-3-propan-2-ylurea
CID 72135788
1-cycloheptyl-3-[(3S)-1,1-dioxothiolan-3-yl]-1-methylurea
CID 93916715

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).