2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol

C11H14O3S — CID 66057899

IUPAC2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol
SMILESCC(CO)C1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C11H14O3S/c1-8(6-12)10-7-15(13,14)11-5-3-2-4-9(10)11/h2-5,8,10,12H,6-7H2,1H3
InChIKeyAZKMRFXKSFMWEM-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.19
Rot. Bonds2

About 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol

2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol (PubChem CID 66057899) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol
PubChem CID66057899
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol
SMILESCC(CO)C1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C11H14O3S/c1-8(6-12)10-7-15(13,14)11-5-3-2-4-9(10)11/h2-5,8,10,12H,6-7H2,1H3
InChIKeyAZKMRFXKSFMWEM-UHFFFAOYSA-N
XLogP1.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-methylbutanoic acid
CID 61129701
(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
CID 94848528
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 62505367
3-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)pentan-2-one
CID 79428432
3-(2-chloro-1-phenylethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 66033894
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2-phenylethanamine
CID 65430575
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-1-amine
CID 62528507
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-N-propylpentan-1-amine
CID 62530495
2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanoic acid
CID 43638679
N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 16638534
3-[2-chloro-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 79433393
2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-methylamino]propanoic acid
CID 55097272

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol (CID 66057899) is 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol is CC(CO)C1CS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol?
The InChIKey is AZKMRFXKSFMWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-8(6-12)10-7-15(13,14)11-5-3-2-4-9(10)11/h2-5,8,10,12H,6-7H2,1H3.
What are the key properties of 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol?
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol has a molecular weight of 226.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol is sourced from PubChem (CID 66057899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).