[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol

C8H18N2O2S — CID 164648332

IUPAC[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
SMILES[H]N=S(=O)(CC)N1CCC(C)C1CO
InChIInChI=1S/C8H18N2O2S/c1-3-13(9,12)10-5-4-7(2)8(10)6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyMHJPHESQKLIAJO-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.67
Rot. Bonds3

About [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol

[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 164648332) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID164648332
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
SMILES[H]N=S(=O)(CC)N1CCC(C)C1CO
InChIInChI=1S/C8H18N2O2S/c1-3-13(9,12)10-5-4-7(2)8(10)6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyMHJPHESQKLIAJO-UHFFFAOYSA-N
XLogP0.67
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786449
[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786318
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786155
[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102778572
[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol
CID 102782218
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylpropanoic acid
CID 102778344
[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102789177
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102786141
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107327561
[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 102782223
[3-methyl-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786152
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102782226

Frequently Asked Questions

What is the IUPAC name of [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol (CID 164648332) is [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol is [H]N=S(=O)(CC)N1CCC(C)C1CO.
What is the InChIKey of [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is MHJPHESQKLIAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-13(9,12)10-5-4-7(2)8(10)6-11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 206.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 164648332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).