1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea

C7H14N2O3S — CID 7360589

IUPAC1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea
SMILESCN(C(N)=O)[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-7(9(2)6(8)10)3-4-13(11,12)5-7/h3-5H2,1-2H3,(H2,8,10)/t7-/m1/s1
InChIKeyCBEUZWJVSFKVMP-SSDOTTSWSA-N
MW206.27 g/mol
LogP-0.43
Rot. Bonds1

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

1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea (PubChem CID 7360589) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea
PubChem CID7360589
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea
SMILESCN(C(N)=O)[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-7(9(2)6(8)10)3-4-13(11,12)5-7/h3-5H2,1-2H3,(H2,8,10)/t7-/m1/s1
InChIKeyCBEUZWJVSFKVMP-SSDOTTSWSA-N
XLogP-0.43
TPSA80.47 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 ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea?
The IUPAC name of 1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea (CID 7360589) is 1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea.
What is the SMILES notation for 1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea?
The canonical SMILES for 1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea is CN(C(N)=O)[C@]1(C)CCS(=O)(=O)C1.
What is the InChIKey of 1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea?
The InChIKey is CBEUZWJVSFKVMP-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-7(9(2)6(8)10)3-4-13(11,12)5-7/h3-5H2,1-2H3,(H2,8,10)/t7-/m1/s1.
What are the key properties of 1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea?
1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea has a molecular weight of 206.27 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 1-methyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]urea is sourced from PubChem (CID 7360589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).