[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine

C10H22N2O2S — CID 115486246

IUPAC[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
SMILESCCS(=O)(=O)CCN1CC(CN)CC1C
InChIInChI=1S/C10H22N2O2S/c1-3-15(13,14)5-4-12-8-10(7-11)6-9(12)2/h9-10H,3-8,11H2,1-2H3
InChIKeyGFMOFBXKLSBMHL-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.09
Rot. Bonds5

About [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine

[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 115486246) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
PubChem CID115486246
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
SMILESCCS(=O)(=O)CCN1CC(CN)CC1C
InChIInChI=1S/C10H22N2O2S/c1-3-15(13,14)5-4-12-8-10(7-11)6-9(12)2/h9-10H,3-8,11H2,1-2H3
InChIKeyGFMOFBXKLSBMHL-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1-propylpyrrolidin-3-yl)methanamine
CID 115486103
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486226
(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine
CID 115486286
[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115486200
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 113319941
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120966626
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120966625
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 112703650
(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methanamine
CID 105361446
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 113319982

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine (CID 115486246) is [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine is CCS(=O)(=O)CCN1CC(CN)CC1C.
What is the InChIKey of [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is GFMOFBXKLSBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-15(13,14)5-4-12-8-10(7-11)6-9(12)2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine?
[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 234.36 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).