methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate

C10H20N2O4S — CID 55168861

IUPACmethyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate
SMILESCNCC1CCN(S(=O)(=O)CCC(=O)OC)C1
InChIInChI=1S/C10H20N2O4S/c1-11-7-9-3-5-12(8-9)17(14,15)6-4-10(13)16-2/h9,11H,3-8H2,1-2H3
InChIKeyJPSDXYPKYNGOOI-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.58
Rot. Bonds6

About methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate

methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate (PubChem CID 55168861) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate
PubChem CID55168861
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate
SMILESCNCC1CCN(S(=O)(=O)CCC(=O)OC)C1
InChIInChI=1S/C10H20N2O4S/c1-11-7-9-3-5-12(8-9)17(14,15)6-4-10(13)16-2/h9,11H,3-8H2,1-2H3
InChIKeyJPSDXYPKYNGOOI-UHFFFAOYSA-N
XLogP-0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 63264239
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
methyl 3-(3-aminoazetidin-1-yl)sulfonylpropanoate
CID 65244767
N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 63263924
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
methyl 4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoate
CID 80552640
methyl 4-(3-methylpyrrolidin-1-yl)sulfonylbutanoate
CID 61460356
methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62370432
1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978040
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbutanoate
CID 115307199

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate?
The IUPAC name of methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate (CID 55168861) is methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate.
What is the SMILES notation for methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate?
The canonical SMILES for methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate is CNCC1CCN(S(=O)(=O)CCC(=O)OC)C1.
What is the InChIKey of methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate?
The InChIKey is JPSDXYPKYNGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-11-7-9-3-5-12(8-9)17(14,15)6-4-10(13)16-2/h9,11H,3-8H2,1-2H3.
What are the key properties of methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate?
methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate has a molecular weight of 264.35 g/mol, XLogP of -0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate is sourced from PubChem (CID 55168861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).