CID 134786969

C10H14N2O4S2 — CID 134786969

IUPAC—
SMILESCN1CC(O)CN([S+](=O)([O-])c2cccs2)CC1=O
InChIInChI=1S/C10H14N2O4S2/c1-11-5-8(13)6-12(7-9(11)14)18(15,16)10-3-2-4-17-10/h2-4,8,13H,5-7H2,1H3
InChIKeyXLPKNTYXYHPSGU-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.21
Rot. Bonds2

About CID 134786969

CID 134786969 (PubChem CID 134786969) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol.

Molecular Properties

Compound NameCID 134786969
PubChem CID134786969
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name—
SMILESCN1CC(O)CN([S+](=O)([O-])c2cccs2)CC1=O
InChIInChI=1S/C10H14N2O4S2/c1-11-5-8(13)6-12(7-9(11)14)18(15,16)10-3-2-4-17-10/h2-4,8,13H,5-7H2,1H3
InChIKeyXLPKNTYXYHPSGU-UHFFFAOYSA-N
XLogP-0.21
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 134786969?
The IUPAC name of CID 134786969 (CID 134786969) is not available.
What is the SMILES notation for CID 134786969?
The canonical SMILES for CID 134786969 is CN1CC(O)CN([S+](=O)([O-])c2cccs2)CC1=O.
What is the InChIKey of CID 134786969?
The InChIKey is XLPKNTYXYHPSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-11-5-8(13)6-12(7-9(11)14)18(15,16)10-3-2-4-17-10/h2-4,8,13H,5-7H2,1H3.
What are the key properties of CID 134786969?
CID 134786969 has a molecular weight of 290.37 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134786969 is sourced from PubChem (CID 134786969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).