CID 59960579

C6H13FNO5S2 — CID 59960579

IUPAC—
SMILESCCCN(CCCS([O])(=O)=O)S(=O)(=O)F
InChIInChI=1S/C6H13FNO5S2/c1-2-4-8(15(7,12)13)5-3-6-14(9,10)11/h2-6H2,1H3
InChIKeyGYOZFLUISYZGOE-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.06
Rot. Bonds7

About CID 59960579

CID 59960579 (PubChem CID 59960579) has the molecular formula C6H13FNO5S2 and a molecular weight of 262.30 g/mol.

Molecular Properties

Compound NameCID 59960579
PubChem CID59960579
Molecular FormulaC6H13FNO5S2
Molecular Weight262.30 g/mol
Exact Mass262.02
IUPAC Name—
SMILESCCCN(CCCS([O])(=O)=O)S(=O)(=O)F
InChIInChI=1S/C6H13FNO5S2/c1-2-4-8(15(7,12)13)5-3-6-14(9,10)11/h2-6H2,1H3
InChIKeyGYOZFLUISYZGOE-UHFFFAOYSA-N
XLogP0.06
TPSA91.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59960579?
The IUPAC name of CID 59960579 (CID 59960579) is not available.
What is the SMILES notation for CID 59960579?
The canonical SMILES for CID 59960579 is CCCN(CCCS([O])(=O)=O)S(=O)(=O)F.
What is the InChIKey of CID 59960579?
The InChIKey is GYOZFLUISYZGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FNO5S2/c1-2-4-8(15(7,12)13)5-3-6-14(9,10)11/h2-6H2,1H3.
What are the key properties of CID 59960579?
CID 59960579 has a molecular weight of 262.30 g/mol, XLogP of 0.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59960579 is sourced from PubChem (CID 59960579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).