CID 175934682

C6H7FN2NaO5S — CID 175934682

IUPAC—
SMILESO=C1N2OS(=O)(=O)O[C@]3(F)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C6H7FN2O5S.Na/c7-6-2-1-4-3-8(6)5(10)9(4)14-15(11,12)13-6;/h4H,1-3H2;/t4-,6+;/m1./s1
InChIKeyZDGVJLYOEKCJCB-MYSBMPOLSA-N
MW261.19 g/mol
LogP-0.66
Rot. Bonds

About CID 175934682

CID 175934682 (PubChem CID 175934682) has the molecular formula C6H7FN2NaO5S and a molecular weight of 261.19 g/mol.

Molecular Properties

Compound NameCID 175934682
PubChem CID175934682
Molecular FormulaC6H7FN2NaO5S
Molecular Weight261.19 g/mol
Exact Mass261.00
IUPAC Name—
SMILESO=C1N2OS(=O)(=O)O[C@]3(F)CC[C@@H]2CN13.[Na]
InChIInChI=1S/C6H7FN2O5S.Na/c7-6-2-1-4-3-8(6)5(10)9(4)14-15(11,12)13-6;/h4H,1-3H2;/t4-,6+;/m1./s1
InChIKeyZDGVJLYOEKCJCB-MYSBMPOLSA-N
XLogP-0.66
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 175934659
CID 175934659
CID 175934672
CID 175934672
(7S,10R)-5,5-dioxo-7-(trifluoromethyl)-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934660
(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-(fluoromethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934669
(7S,10R)-7-(difluoromethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934671
(7S,10R)-7-(1,1-difluoroethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934673
(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
CID 175934601
CID 175934601
4,6-Dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide
CID 175934602
CID 175934664
CID 175934664
CID 175934666
CID 175934666

Frequently Asked Questions

What is the IUPAC name of CID 175934682?
The IUPAC name of CID 175934682 (CID 175934682) is not available.
What is the SMILES notation for CID 175934682?
The canonical SMILES for CID 175934682 is O=C1N2OS(=O)(=O)O[C@]3(F)CC[C@@H]2CN13.[Na].
What is the InChIKey of CID 175934682?
The InChIKey is ZDGVJLYOEKCJCB-MYSBMPOLSA-N. The full InChI is InChI=1S/C6H7FN2O5S.Na/c7-6-2-1-4-3-8(6)5(10)9(4)14-15(11,12)13-6;/h4H,1-3H2;/t4-,6+;/m1./s1.
What are the key properties of CID 175934682?
CID 175934682 has a molecular weight of 261.19 g/mol, XLogP of -0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175934682 is sourced from PubChem (CID 175934682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).