2-benzyl-3H-1,2-thiazole 1,1-dioxide

C10H11NO2S — CID 15418398

IUPAC2-benzyl-3H-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=CCN1Cc1ccccc1
InChIInChI=1S/C10H11NO2S/c12-14(13)8-4-7-11(14)9-10-5-2-1-3-6-10/h1-6,8H,7,9H2
InChIKeyKUEHWGCXQUBWQI-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.35
Rot. Bonds2

About 2-benzyl-3H-1,2-thiazole 1,1-dioxide

2-benzyl-3H-1,2-thiazole 1,1-dioxide (PubChem CID 15418398) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-benzyl-3H-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-3H-1,2-thiazole 1,1-dioxide
PubChem CID15418398
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-benzyl-3H-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=CCN1Cc1ccccc1
InChIInChI=1S/C10H11NO2S/c12-14(13)8-4-7-11(14)9-10-5-2-1-3-6-10/h1-6,8H,7,9H2
InChIKeyKUEHWGCXQUBWQI-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3H-1,2-thiazole 1,1-dioxide?
The IUPAC name of 2-benzyl-3H-1,2-thiazole 1,1-dioxide (CID 15418398) is 2-benzyl-3H-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 2-benzyl-3H-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 2-benzyl-3H-1,2-thiazole 1,1-dioxide is O=S1(=O)C=CCN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3H-1,2-thiazole 1,1-dioxide?
The InChIKey is KUEHWGCXQUBWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-14(13)8-4-7-11(14)9-10-5-2-1-3-6-10/h1-6,8H,7,9H2.
What are the key properties of 2-benzyl-3H-1,2-thiazole 1,1-dioxide?
2-benzyl-3H-1,2-thiazole 1,1-dioxide has a molecular weight of 209.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3H-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 15418398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).