2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide

C7H13NO2S — CID 58769933

IUPAC2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide
SMILESCC(C)CN1CC=CS1(=O)=O
InChIInChI=1S/C7H13NO2S/c1-7(2)6-8-4-3-5-11(8,9)10/h3,5,7H,4,6H2,1-2H3
InChIKeyVKFDKMUWGAROHK-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.80
Rot. Bonds2

About 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide

2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide (PubChem CID 58769933) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide
PubChem CID58769933
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide
SMILESCC(C)CN1CC=CS1(=O)=O
InChIInChI=1S/C7H13NO2S/c1-7(2)6-8-4-3-5-11(8,9)10/h3,5,7H,4,6H2,1-2H3
InChIKeyVKFDKMUWGAROHK-UHFFFAOYSA-N
XLogP0.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide?
The IUPAC name of 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide (CID 58769933) is 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide is CC(C)CN1CC=CS1(=O)=O.
What is the InChIKey of 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide?
The InChIKey is VKFDKMUWGAROHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(2)6-8-4-3-5-11(8,9)10/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide?
2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide has a molecular weight of 175.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3H-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 58769933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).