CID 66786048

C7H10LiN2O2S — CID 66786048

IUPAC—
SMILESCN(C)Cc1cnc(C(=O)O)s1.[Li]
InChIInChI=1S/C7H10N2O2S.Li/c1-9(2)4-5-3-8-6(12-5)7(10)11;/h3H,4H2,1-2H3,(H,10,11);
InChIKeyMUPVGMUIMOHZIV-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.52
Rot. Bonds3

About CID 66786048

CID 66786048 (PubChem CID 66786048) has the molecular formula C7H10LiN2O2S and a molecular weight of 193.18 g/mol.

Molecular Properties

Compound NameCID 66786048
PubChem CID66786048
Molecular FormulaC7H10LiN2O2S
Molecular Weight193.18 g/mol
Exact Mass193.06
IUPAC Name—
SMILESCN(C)Cc1cnc(C(=O)O)s1.[Li]
InChIInChI=1S/C7H10N2O2S.Li/c1-9(2)4-5-3-8-6(12-5)7(10)11;/h3H,4H2,1-2H3,(H,10,11);
InChIKeyMUPVGMUIMOHZIV-UHFFFAOYSA-N
XLogP0.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 66786048?
The IUPAC name of CID 66786048 (CID 66786048) is not available.
What is the SMILES notation for CID 66786048?
The canonical SMILES for CID 66786048 is CN(C)Cc1cnc(C(=O)O)s1.[Li].
What is the InChIKey of CID 66786048?
The InChIKey is MUPVGMUIMOHZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.Li/c1-9(2)4-5-3-8-6(12-5)7(10)11;/h3H,4H2,1-2H3,(H,10,11);.
What are the key properties of CID 66786048?
CID 66786048 has a molecular weight of 193.18 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66786048 is sourced from PubChem (CID 66786048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).