[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol

C9H20N2O3S — CID 102782218

IUPAC[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol
SMILESCNCCS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C9H20N2O3S/c1-8-3-5-11(9(8)7-12)15(13,14)6-4-10-2/h8-10,12H,3-7H2,1-2H3
InChIKeyAPVRCCNAFSIOQY-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.76
Rot. Bonds5

About [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 102782218) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol
PubChem CID102782218
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol
SMILESCNCCS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C9H20N2O3S/c1-8-3-5-11(9(8)7-12)15(13,14)6-4-10-2/h8-10,12H,3-7H2,1-2H3
InChIKeyAPVRCCNAFSIOQY-UHFFFAOYSA-N
XLogP-0.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102778572
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786449
2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
CID 22291187
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102782226
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
CID 164648332
[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 102782223
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylpropanoic acid
CID 102778344
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595
3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one
CID 63605941
[3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 154789710
1-butylsulfonyl-2-(chloromethyl)-3-methylpyrrolidine
CID 102788521
2-(chloromethyl)-3-methyl-1-(3-methylbutylsulfonyl)pyrrolidine
CID 102788511

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol (CID 102782218) is [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol is CNCCS(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is APVRCCNAFSIOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8-3-5-11(9(8)7-12)15(13,14)6-4-10-2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 236.34 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102782218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).