3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol

C14H20O3S — CID 116853101

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20O3S/c1-14(2,9-15)10-18(16,17)13-7-6-11-4-3-5-12(11)8-13/h6-8,15H,3-5,9-10H2,1-2H3
InChIKeyVTDUZRGADZBYOL-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.97
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol (PubChem CID 116853101) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol
PubChem CID116853101
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20O3S/c1-14(2,9-15)10-18(16,17)13-7-6-11-4-3-5-12(11)8-13/h6-8,15H,3-5,9-10H2,1-2H3
InChIKeyVTDUZRGADZBYOL-UHFFFAOYSA-N
XLogP1.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromo-2,2-dimethylpropyl)sulfonyl-2,3-dihydro-1H-indene
CID 65000038
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol
CID 116855244
5-[2-(bromomethyl)-2-ethylbutyl]sulfonyl-2,3-dihydro-1H-indene
CID 64998596
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine
CID 64647030
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103833742
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 158665045
N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
CID 9189120
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65112897

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol (CID 116853101) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol is CC(C)(CO)CS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol?
The InChIKey is VTDUZRGADZBYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-14(2,9-15)10-18(16,17)13-7-6-11-4-3-5-12(11)8-13/h6-8,15H,3-5,9-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 116853101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).