5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

C10H13NO2S — CID 20649811

IUPAC5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCC(C)c1ccc2c(c1)CNS2(=O)=O
InChIInChI=1S/C10H13NO2S/c1-7(2)8-3-4-10-9(5-8)6-11-14(10,12)13/h3-5,7,11H,6H2,1-2H3
InChIKeyUDFRDUOEFJJDRS-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.60
Rot. Bonds1

About 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 20649811) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID20649811
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESCC(C)c1ccc2c(c1)CNS2(=O)=O
InChIInChI=1S/C10H13NO2S/c1-7(2)8-3-4-10-9(5-8)6-11-14(10,12)13/h3-5,7,11H,6H2,1-2H3
InChIKeyUDFRDUOEFJJDRS-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 20649811) is 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is CC(C)c1ccc2c(c1)CNS2(=O)=O.
What is the InChIKey of 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is UDFRDUOEFJJDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(2)8-3-4-10-9(5-8)6-11-14(10,12)13/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 211.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 20649811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).