[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol

C13H16N2O3S — CID 171459557

IUPAC[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
SMILESCn1cc(S(=O)(=O)N2CC(CO)C2)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c1-14-8-13(11-4-2-3-5-12(11)14)19(17,18)15-6-10(7-15)9-16/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyATHDMJGHSUDGTI-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.79
Rot. Bonds3

About [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol

[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol (PubChem CID 171459557) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
PubChem CID171459557
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
SMILESCn1cc(S(=O)(=O)N2CC(CO)C2)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c1-14-8-13(11-4-2-3-5-12(11)14)19(17,18)15-6-10(7-15)9-16/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyATHDMJGHSUDGTI-UHFFFAOYSA-N
XLogP0.79
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 116855264
[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 166081390
1-methylindole-3-sulfonamide
CID 18331867
1-methylindole-3-sulfonyl chloride
CID 55280184
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794
N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide
CID 82487620
[1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol
CID 107213160
[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol
CID 75510156
[(2S,3S)-3-[(1-methylindol-3-yl)methyl]-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 102101105
2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylazetidin-3-yl]acetic acid
CID 64618231
[1-(5-amino-2-bromophenyl)sulfonylazetidin-3-yl]methanol
CID 107213096

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol?
The IUPAC name of [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol (CID 171459557) is [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol.
What is the SMILES notation for [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol?
The canonical SMILES for [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol is Cn1cc(S(=O)(=O)N2CC(CO)C2)c2ccccc21.
What is the InChIKey of [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol?
The InChIKey is ATHDMJGHSUDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-14-8-13(11-4-2-3-5-12(11)14)19(17,18)15-6-10(7-15)9-16/h2-5,8,10,16H,6-7,9H2,1H3.
What are the key properties of [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol?
[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol has a molecular weight of 280.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol is sourced from PubChem (CID 171459557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).