2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C10H14N2O2S2 — CID 56665487

IUPAC2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCSc1ccc(CN2CCNS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S2/c1-15-10-4-2-9(3-5-10)8-12-7-6-11-16(12,13)14/h2-5,11H,6-8H2,1H3
InChIKeyIUPFNRJCGOTOEX-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.06
Rot. Bonds3

About 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 56665487) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID56665487
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCSc1ccc(CN2CCNS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S2/c1-15-10-4-2-9(3-5-10)8-12-7-6-11-16(12,13)14/h2-5,11H,6-8H2,1H3
InChIKeyIUPFNRJCGOTOEX-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 56665487) is 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is CSc1ccc(CN2CCNS2(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is IUPFNRJCGOTOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-15-10-4-2-9(3-5-10)8-12-7-6-11-16(12,13)14/h2-5,11H,6-8H2,1H3.
What are the key properties of 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 258.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 56665487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).