CID 175934601

C6H10N2NaO4S — CID 175934601

IUPAC—
SMILESO=S1(=O)OC2CCC3CN2CN3O1.[Na]
InChIInChI=1S/C6H10N2O4S.Na/c9-13(10)11-6-2-1-5-3-7(6)4-8(5)12-13;/h5-6H,1-4H2;
InChIKeyGLAIGQGZFCIYNQ-UHFFFAOYSA-N
MW229.21 g/mol
LogP-1.12
Rot. Bonds

About CID 175934601

CID 175934601 (PubChem CID 175934601) has the molecular formula C6H10N2NaO4S and a molecular weight of 229.21 g/mol.

Molecular Properties

Compound NameCID 175934601
PubChem CID175934601
Molecular FormulaC6H10N2NaO4S
Molecular Weight229.21 g/mol
Exact Mass229.03
IUPAC Name—
SMILESO=S1(=O)OC2CCC3CN2CN3O1.[Na]
InChIInChI=1S/C6H10N2O4S.Na/c9-13(10)11-6-2-1-5-3-7(6)4-8(5)12-13;/h5-6H,1-4H2;
InChIKeyGLAIGQGZFCIYNQ-UHFFFAOYSA-N
XLogP-1.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7R,10R)-7-fluoro-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934667
(7S,10R)-7-fluoro-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934683
4,6-Dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide
CID 175934602
CID 175934666
CID 175934666
CID 175934668
CID 175934668
CID 175934682
CID 175934682

Frequently Asked Questions

What is the IUPAC name of CID 175934601?
The IUPAC name of CID 175934601 (CID 175934601) is not available.
What is the SMILES notation for CID 175934601?
The canonical SMILES for CID 175934601 is O=S1(=O)OC2CCC3CN2CN3O1.[Na].
What is the InChIKey of CID 175934601?
The InChIKey is GLAIGQGZFCIYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S.Na/c9-13(10)11-6-2-1-5-3-7(6)4-8(5)12-13;/h5-6H,1-4H2;.
What are the key properties of CID 175934601?
CID 175934601 has a molecular weight of 229.21 g/mol, XLogP of -1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175934601 is sourced from PubChem (CID 175934601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).