2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol

C13H17NO3S — CID 116855264

IUPAC2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol
SMILESCn1cc(S(=O)(=O)C(C)(C)CO)c2ccccc21
InChIInChI=1S/C13H17NO3S/c1-13(2,9-15)18(16,17)12-8-14(3)11-7-5-4-6-10(11)12/h4-8,15H,9H2,1-3H3
InChIKeyXTOKJODTAPPYSM-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol

2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol (PubChem CID 116855264) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol
PubChem CID116855264
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol
SMILESCn1cc(S(=O)(=O)C(C)(C)CO)c2ccccc21
InChIInChI=1S/C13H17NO3S/c1-13(2,9-15)18(16,17)12-8-14(3)11-7-5-4-6-10(11)12/h4-8,15H,9H2,1-3H3
InChIKeyXTOKJODTAPPYSM-UHFFFAOYSA-N
XLogP1.72
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylindole-3-sulfonamide
CID 18331867
1-methylindole-3-sulfonyl chloride
CID 55280184
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794
N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide
CID 82487620
[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
CID 171459557
[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 166081390
4-methyl-4-(1-methylindol-3-yl)pentan-2-one
CID 12015252
(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
CID 171248669
(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 171241945
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947
1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide
CID 71967386
3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol?
The IUPAC name of 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol (CID 116855264) is 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol?
The canonical SMILES for 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol is Cn1cc(S(=O)(=O)C(C)(C)CO)c2ccccc21.
What is the InChIKey of 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol?
The InChIKey is XTOKJODTAPPYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-13(2,9-15)18(16,17)12-8-14(3)11-7-5-4-6-10(11)12/h4-8,15H,9H2,1-3H3.
What are the key properties of 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol?
2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol has a molecular weight of 267.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol is sourced from PubChem (CID 116855264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).