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

C8H13NO2S — CID 53240175

IUPAC2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=CCN1C1CCCC1
InChIInChI=1S/C8H13NO2S/c10-12(11)7-3-6-9(12)8-4-1-2-5-8/h3,7-8H,1-2,4-6H2
InChIKeyKZCUPEBLKHBIDF-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.09
Rot. Bonds1

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

2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide (PubChem CID 53240175) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide
PubChem CID53240175
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=CCN1C1CCCC1
InChIInChI=1S/C8H13NO2S/c10-12(11)7-3-6-9(12)8-4-1-2-5-8/h3,7-8H,1-2,4-6H2
InChIKeyKZCUPEBLKHBIDF-UHFFFAOYSA-N
XLogP1.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide?
The IUPAC name of 2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide (CID 53240175) is 2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide is O=S1(=O)C=CCN1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide?
The InChIKey is KZCUPEBLKHBIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c10-12(11)7-3-6-9(12)8-4-1-2-5-8/h3,7-8H,1-2,4-6H2.
What are the key properties of 2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide?
2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide has a molecular weight of 187.26 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3H-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 53240175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).