CID 70501864

C5H8KN4O3S2 — CID 70501864

IUPAC—
SMILESCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.[K]
InChIInChI=1S/C5H8N4O3S2.K/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12;/h1-2H3,(H2,6,11,12);/b7-4-;
InChIKeyXSXGXQIHBXUTRU-ZULQGGHCSA-N
MW275.38 g/mol
LogP-1.80
Rot. Bonds1

About CID 70501864

CID 70501864 (PubChem CID 70501864) has the molecular formula C5H8KN4O3S2 and a molecular weight of 275.38 g/mol.

Molecular Properties

Compound NameCID 70501864
PubChem CID70501864
Molecular FormulaC5H8KN4O3S2
Molecular Weight275.38 g/mol
Exact Mass274.97
IUPAC Name—
SMILESCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.[K]
InChIInChI=1S/C5H8N4O3S2.K/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12;/h1-2H3,(H2,6,11,12);/b7-4-;
InChIKeyXSXGXQIHBXUTRU-ZULQGGHCSA-N
XLogP-1.80
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 70501864?
The IUPAC name of CID 70501864 (CID 70501864) is not available.
What is the SMILES notation for CID 70501864?
The canonical SMILES for CID 70501864 is CC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.[K].
What is the InChIKey of CID 70501864?
The InChIKey is XSXGXQIHBXUTRU-ZULQGGHCSA-N. The full InChI is InChI=1S/C5H8N4O3S2.K/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12;/h1-2H3,(H2,6,11,12);/b7-4-;.
What are the key properties of CID 70501864?
CID 70501864 has a molecular weight of 275.38 g/mol, XLogP of -1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70501864 is sourced from PubChem (CID 70501864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).