CID 167710565

C11H22N2O2S2 — CID 167710565

IUPAC—
SMILESCc1ccc(S(=O)(=O)Cc2nnc(C)s2)cc1.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H]
InChIInChI=1S/C11H12N2O2S2.5H2/c1-8-3-5-10(6-4-8)17(14,15)7-11-13-12-9(2)16-11;;;;;/h3-6H,7H2,1-2H3;5*1H/i;4*1+1D;1+1
InChIKeyZTSVZCIWYZXKBY-BWMWMSRQSA-N
MW287.50 g/mol
LogP3.36
Rot. Bonds3

About CID 167710565

CID 167710565 (PubChem CID 167710565) has the molecular formula C11H22N2O2S2 and a molecular weight of 287.50 g/mol.

Molecular Properties

Compound NameCID 167710565
PubChem CID167710565
Molecular FormulaC11H22N2O2S2
Molecular Weight287.50 g/mol
Exact Mass287.17
IUPAC Name—
SMILESCc1ccc(S(=O)(=O)Cc2nnc(C)s2)cc1.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H]
InChIInChI=1S/C11H12N2O2S2.5H2/c1-8-3-5-10(6-4-8)17(14,15)7-11-13-12-9(2)16-11;;;;;/h3-6H,7H2,1-2H3;5*1H/i;4*1+1D;1+1
InChIKeyZTSVZCIWYZXKBY-BWMWMSRQSA-N
XLogP3.36
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 167710565?
The IUPAC name of CID 167710565 (CID 167710565) is not available.
What is the SMILES notation for CID 167710565?
The canonical SMILES for CID 167710565 is Cc1ccc(S(=O)(=O)Cc2nnc(C)s2)cc1.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].
What is the InChIKey of CID 167710565?
The InChIKey is ZTSVZCIWYZXKBY-BWMWMSRQSA-N. The full InChI is InChI=1S/C11H12N2O2S2.5H2/c1-8-3-5-10(6-4-8)17(14,15)7-11-13-12-9(2)16-11;;;;;/h3-6H,7H2,1-2H3;5*1H/i;4*1+1D;1+1.
What are the key properties of CID 167710565?
CID 167710565 has a molecular weight of 287.50 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167710565 is sourced from PubChem (CID 167710565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).