3-propyl-1,2-benzothiazole 1,1-dioxide

C10H11NO2S — CID 135384944

IUPAC3-propyl-1,2-benzothiazole 1,1-dioxide
SMILESCCCC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H11NO2S/c1-2-5-9-8-6-3-4-7-10(8)14(12,13)11-9/h3-4,6-7H,2,5H2,1H3
InChIKeyPDGMIRNIVXVZGW-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.98
Rot. Bonds2

About 3-propyl-1,2-benzothiazole 1,1-dioxide

3-propyl-1,2-benzothiazole 1,1-dioxide (PubChem CID 135384944) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-propyl-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-propyl-1,2-benzothiazole 1,1-dioxide
PubChem CID135384944
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name3-propyl-1,2-benzothiazole 1,1-dioxide
SMILESCCCC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H11NO2S/c1-2-5-9-8-6-3-4-7-10(8)14(12,13)11-9/h3-4,6-7H,2,5H2,1H3
InChIKeyPDGMIRNIVXVZGW-UHFFFAOYSA-N
XLogP1.98
TPSA46.50 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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-propyl-1,2-benzothiazole 1,1-dioxide (CID 135384944) is 3-propyl-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-propyl-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-propyl-1,2-benzothiazole 1,1-dioxide is CCCC1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-propyl-1,2-benzothiazole 1,1-dioxide?
The InChIKey is PDGMIRNIVXVZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-2-5-9-8-6-3-4-7-10(8)14(12,13)11-9/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 3-propyl-1,2-benzothiazole 1,1-dioxide?
3-propyl-1,2-benzothiazole 1,1-dioxide has a molecular weight of 209.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 135384944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).