[1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol

C14H19NO3S — CID 106717189

IUPAC[1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol
SMILESCC(C)S(=O)(=O)CCn1cc(CO)c2ccccc21
InChIInChI=1S/C14H19NO3S/c1-11(2)19(17,18)8-7-15-9-12(10-16)13-5-3-4-6-14(13)15/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyBAHYRZBHJOQDBN-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.96
Rot. Bonds5

About [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol

[1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol (PubChem CID 106717189) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol
PubChem CID106717189
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol
SMILESCC(C)S(=O)(=O)CCn1cc(CO)c2ccccc21
InChIInChI=1S/C14H19NO3S/c1-11(2)19(17,18)8-7-15-9-12(10-16)13-5-3-4-6-14(13)15/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyBAHYRZBHJOQDBN-UHFFFAOYSA-N
XLogP1.96
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol?
The IUPAC name of [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol (CID 106717189) is [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol.
What is the SMILES notation for [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol?
The canonical SMILES for [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol is CC(C)S(=O)(=O)CCn1cc(CO)c2ccccc21.
What is the InChIKey of [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol?
The InChIKey is BAHYRZBHJOQDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11(2)19(17,18)8-7-15-9-12(10-16)13-5-3-4-6-14(13)15/h3-6,9,11,16H,7-8,10H2,1-2H3.
What are the key properties of [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol?
[1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol has a molecular weight of 281.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol is sourced from PubChem (CID 106717189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).