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

Analyze 3-propyl-1,2-benzothiazole 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63198381
3-(2-chloro-3-methoxypropyl)-1,2-benzothiazole 1,1-dioxide
CID 63205356
sodium 1,1-dioxo-1,2-benzothiazol-3-olate
CID 23675258
potassium 1,1-dioxo-1,2-benzothiazol-3-olate
CID 23694166
3-propyl-1-benzothiophene 1,1-dioxide
CID 126543677
1,1-dioxo-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzothiazol-3-one
CID 36658678
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine
CID 676521
N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 3468738
carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))
CID 11585754
N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-N'-ethylpropane-1,3-diamine
CID 60870048
N-(2,5-dimethylpyrrol-1-yl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 79107428
(1,1-dioxo-1,2-benzothiazol-3-yl)oxyboronic acid
CID 164680331

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).