methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate

C10H20N2O4S — CID 55169536

IUPACmethyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCCC1C(C)N
InChIInChI=1S/C10H20N2O4S/c1-8(11)9-5-3-4-6-12(9)17(14,15)7-10(13)16-2/h8-9H,3-7,11H2,1-2H3
InChIKeySYEUSXCWOXZJMT-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.31
Rot. Bonds4

About methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate

methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate (PubChem CID 55169536) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate
PubChem CID55169536
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCCC1C(C)N
InChIInChI=1S/C10H20N2O4S/c1-8(11)9-5-3-4-6-12(9)17(14,15)7-10(13)16-2/h8-9H,3-7,11H2,1-2H3
InChIKeySYEUSXCWOXZJMT-UHFFFAOYSA-N
XLogP-0.31
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
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(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
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methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815
methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate
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methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79546798
2-(1-aminoethyl)-N-ethyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119965247
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965380
methyl 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-3-methylbenzoate
CID 119965486
methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
CID 62274926
1-[2-(1-aminoethyl)piperidin-1-yl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 119434466
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 63255342

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate?
The IUPAC name of methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate (CID 55169536) is methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate is COC(=O)CS(=O)(=O)N1CCCCC1C(C)N.
What is the InChIKey of methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate?
The InChIKey is SYEUSXCWOXZJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(11)9-5-3-4-6-12(9)17(14,15)7-10(13)16-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate?
methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate has a molecular weight of 264.35 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate is sourced from PubChem (CID 55169536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).