3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea

C7H14N2O3S — CID 7361259

IUPAC3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@@H]1CCS(=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)/t6-/m1/s1
InChIKeyCXNLWMNGJLNXLS-ZCFIWIBFSA-N
MW206.27 g/mol
LogP-0.56
Rot. Bonds1

About 3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea

3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea (PubChem CID 7361259) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
PubChem CID7361259
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@@H]1CCS(=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)/t6-/m1/s1
InChIKeyCXNLWMNGJLNXLS-ZCFIWIBFSA-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-[(3R)-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

Related Compounds

1-cycloheptyl-3-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47237189
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519
1-(cyclopropylmethyl)-3-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 139000231
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
2-[(1,1-dioxothiolan-3-yl)carbamoyl-methylamino]benzoic acid
CID 61181828
4-[(1,1-dioxothiolan-3-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991603
3-[(1,1-dioxothiolan-3-yl)carbamoyl-ethylamino]propanoic acid
CID 61183235
3-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-1-prop-2-ynylurea
CID 94594481

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea?
The IUPAC name of 3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea (CID 7361259) is 3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea is CN(C)C(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea?
The InChIKey is CXNLWMNGJLNXLS-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of 3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea?
3-[(3R)-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-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea is sourced from PubChem (CID 7361259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).