(4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

C10H14N2O2S — CID 138857823

IUPAC(4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCc1ccccc1[C@H]1CN(C)S(=O)(=O)N1
InChIInChI=1S/C10H14N2O2S/c1-8-5-3-4-6-9(8)10-7-12(2)15(13,14)11-10/h3-6,10-11H,7H2,1-2H3/t10-/m1/s1
InChIKeyUAAVAGWIKZLMOA-SNVBAGLBSA-N
MW226.30 g/mol
LogP0.82
Rot. Bonds1

About (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

(4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 138857823) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID138857823
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCc1ccccc1[C@H]1CN(C)S(=O)(=O)N1
InChIInChI=1S/C10H14N2O2S/c1-8-5-3-4-6-9(8)10-7-12(2)15(13,14)11-10/h3-6,10-11H,7H2,1-2H3/t10-/m1/s1
InChIKeyUAAVAGWIKZLMOA-SNVBAGLBSA-N
XLogP0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(2-methylphenyl)imidazolidin-2-one
CID 116981049
5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one
CID 105472926
6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one
CID 73369318
(5R)-5-(2-methylphenyl)pyrrolidin-2-one
CID 124706826
3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980283
(3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 886630
methyl 5-(2-methylphenyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 65170893
2-(2-methylphenyl)piperazine;dihydrochloride
CID 70608733
3-(2-methylphenyl)-1,4-thiazepane 1-oxide
CID 66220011
(2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine
CID 82659044
3-(4-methylphenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 25029574
(2S,4S)-2-(2-methylphenyl)piperidin-4-amine
CID 82656145

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 138857823) is (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is Cc1ccccc1[C@H]1CN(C)S(=O)(=O)N1.
What is the InChIKey of (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is UAAVAGWIKZLMOA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8-5-3-4-6-9(8)10-7-12(2)15(13,14)11-10/h3-6,10-11H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
(4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4-(2-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 138857823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).