[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol

C16H25NO3S — CID 102786318

IUPAC[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C)C2CO)c1C
InChIInChI=1S/C16H25NO3S/c1-10-6-7-17(15(10)9-18)21(19,20)16-13(4)11(2)8-12(3)14(16)5/h8,10,15,18H,6-7,9H2,1-5H3
InChIKeyGUEGRQBVEVWNNE-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.31
Rot. Bonds3

About [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol

[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 102786318) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID102786318
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C)C2CO)c1C
InChIInChI=1S/C16H25NO3S/c1-10-6-7-17(15(10)9-18)21(19,20)16-13(4)11(2)8-12(3)14(16)5/h8,10,15,18H,6-7,9H2,1-5H3
InChIKeyGUEGRQBVEVWNNE-UHFFFAOYSA-N
XLogP2.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107327561
[1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107326291
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102786141
[1-(4-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786207
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzoic acid
CID 102778354
[1-(2-bromo-4,6-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786095
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid
CID 102778284
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 102786347
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786155
[3-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786144
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
CID 164648332
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 102784368

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 102786318) is [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C)C2CO)c1C.
What is the InChIKey of [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is GUEGRQBVEVWNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-10-6-7-17(15(10)9-18)21(19,20)16-13(4)11(2)8-12(3)14(16)5/h8,10,15,18H,6-7,9H2,1-5H3.
What are the key properties of [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 311.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).