3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol

C12H15NO3S — CID 57297566

IUPAC3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)C(O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15NO3S/c1-17(15,16)12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-14H,6-7H2,1H3
InChIKeyGHMFTCVXLHLBJA-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.46
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol

3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol (PubChem CID 57297566) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol
PubChem CID57297566
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)C(O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15NO3S/c1-17(15,16)12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-14H,6-7H2,1H3
InChIKeyGHMFTCVXLHLBJA-UHFFFAOYSA-N
XLogP1.46
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-hydroxy-3-(1H-indol-3-yl)propanamide
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CID 121440286

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol?
The IUPAC name of 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol (CID 57297566) is 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol?
The canonical SMILES for 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol is CS(=O)(=O)C(O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol?
The InChIKey is GHMFTCVXLHLBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-17(15,16)12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-14H,6-7H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol?
3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol is sourced from PubChem (CID 57297566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).