C7H10F3N2O5S

C7H10F3N2O5S — CID 156588632

IUPAC—
SMILESN[C](CS)C(=O)NCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9N2O3S.C2HF3O2/c6-3(2-11)5(10)7-1-4(8)9;3-2(4,5)1(6)7/h11H,1-2,6H2,(H,7,10)(H,8,9);(H,6,7)
InChIKeyWOFJAJCBASKILO-UHFFFAOYSA-N
MW291.23 g/mol
LogP-0.76
Rot. Bonds4

About C7H10F3N2O5S

C7H10F3N2O5S (PubChem CID 156588632) has the molecular formula C7H10F3N2O5S and a molecular weight of 291.23 g/mol.

Molecular Properties

Compound NameC7H10F3N2O5S
PubChem CID156588632
Molecular FormulaC7H10F3N2O5S
Molecular Weight291.23 g/mol
Exact Mass291.03
IUPAC Name—
SMILESN[C](CS)C(=O)NCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9N2O3S.C2HF3O2/c6-3(2-11)5(10)7-1-4(8)9;3-2(4,5)1(6)7/h11H,1-2,6H2,(H,7,10)(H,8,9);(H,6,7)
InChIKeyWOFJAJCBASKILO-UHFFFAOYSA-N
XLogP-0.76
TPSA129.72 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of C7H10F3N2O5S?
The IUPAC name of C7H10F3N2O5S (CID 156588632) is not available.
What is the SMILES notation for C7H10F3N2O5S?
The canonical SMILES for C7H10F3N2O5S is N[C](CS)C(=O)NCC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of C7H10F3N2O5S?
The InChIKey is WOFJAJCBASKILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2O3S.C2HF3O2/c6-3(2-11)5(10)7-1-4(8)9;3-2(4,5)1(6)7/h11H,1-2,6H2,(H,7,10)(H,8,9);(H,6,7).
What are the key properties of C7H10F3N2O5S?
C7H10F3N2O5S has a molecular weight of 291.23 g/mol, XLogP of -0.76, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for C7H10F3N2O5S is sourced from PubChem (CID 156588632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).