methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate

C9H18N2O4S — CID 79992863

IUPACmethyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C9H18N2O4S/c1-7-3-8(10)5-11(4-7)16(13,14)6-9(12)15-2/h7-8H,3-6,10H2,1-2H3
InChIKeyVZEIRYAAXIPLIR-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.84
Rot. Bonds3

About methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate

methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate (PubChem CID 79992863) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate
PubChem CID79992863
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C9H18N2O4S/c1-7-3-8(10)5-11(4-7)16(13,14)6-9(12)15-2/h7-8H,3-6,10H2,1-2H3
InChIKeyVZEIRYAAXIPLIR-UHFFFAOYSA-N
XLogP-0.84
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine
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methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
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methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
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methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate
CID 78996026
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194
methyl 2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]sulfonyl]acetate
CID 102681077
methyl 2-[(2R)-2-methylazetidin-1-yl]sulfonylacetate
CID 174290633
ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)sulfonylacetate
CID 106672320
N-[2-(3-amino-5-methylpiperidin-1-yl)ethyl]acetamide
CID 79993303
5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine
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methyl 2-(3-aminocyclopentyl)sulfonylacetate
CID 64722434

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate?
The IUPAC name of methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate (CID 79992863) is methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate.
What is the SMILES notation for methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate?
The canonical SMILES for methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate is COC(=O)CS(=O)(=O)N1CC(C)CC(N)C1.
What is the InChIKey of methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate?
The InChIKey is VZEIRYAAXIPLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7-3-8(10)5-11(4-7)16(13,14)6-9(12)15-2/h7-8H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate?
methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate has a molecular weight of 250.32 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate is sourced from PubChem (CID 79992863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).