[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol

C15H20N2O3S — CID 166081390

IUPAC[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCn1cc(S(=O)(=O)N2CCC[C@]2(C)CO)c2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-15(11-18)8-5-9-17(15)21(19,20)14-10-16(2)13-7-4-3-6-12(13)14/h3-4,6-7,10,18H,5,8-9,11H2,1-2H3/t15-/m1/s1
InChIKeyZLQSKDJATPFPAZ-OAHLLOKOSA-N
MW308.40 g/mol
LogP1.71
Rot. Bonds3

About [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol

[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 166081390) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID166081390
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCn1cc(S(=O)(=O)N2CCC[C@]2(C)CO)c2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-15(11-18)8-5-9-17(15)21(19,20)14-10-16(2)13-7-4-3-6-12(13)14/h3-4,6-7,10,18H,5,8-9,11H2,1-2H3/t15-/m1/s1
InChIKeyZLQSKDJATPFPAZ-OAHLLOKOSA-N
XLogP1.71
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
CID 171459557
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794
2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol
CID 116855264
1-methylindole-3-sulfonamide
CID 18331867
1-methylindole-3-sulfonyl chloride
CID 55280184
N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide
CID 82487620
[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 63220011
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
N-[(1-methylcyclopentyl)methyl]-1-(1-methylindol-3-yl)methanamine
CID 107235706
[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
CID 45183780
2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol
CID 116860335

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol (CID 166081390) is [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol is Cn1cc(S(=O)(=O)N2CCC[C@]2(C)CO)c2ccccc21.
What is the InChIKey of [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is ZLQSKDJATPFPAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-15(11-18)8-5-9-17(15)21(19,20)14-10-16(2)13-7-4-3-6-12(13)14/h3-4,6-7,10,18H,5,8-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol?
[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 308.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 166081390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).