methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate

C9H18N2O4S — CID 61459472

IUPACmethyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate
SMILESCOC(=O)C(C)S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C9H18N2O4S/c1-7(9(12)15-2)16(13,14)11-5-3-4-8(10)6-11/h7-8H,3-6,10H2,1-2H3
InChIKeyJIDHWCKCJRVTBE-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.70
Rot. Bonds3

About methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate

methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate (PubChem CID 61459472) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate
PubChem CID61459472
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate
SMILESCOC(=O)C(C)S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C9H18N2O4S/c1-7(9(12)15-2)16(13,14)11-5-3-4-8(10)6-11/h7-8H,3-6,10H2,1-2H3
InChIKeyJIDHWCKCJRVTBE-UHFFFAOYSA-N
XLogP-0.70
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 ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120444
methyl 2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpropanoate
CID 79031111
methyl 2-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 103976029
1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-amine
CID 119959530
methyl 2-(4-sulfamoylpiperazin-1-yl)sulfonylpropanoate
CID 61459480
(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923146
methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 102984420
methyl 2-(3,5-dimethylpiperazin-1-yl)sulfonylpropanoate
CID 63873879
methyl 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)propanoate
CID 102680932
(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
methyl (3S)-1-propan-2-ylsulfonylpiperidine-3-carboxylate
CID 79032500
2-(3-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 61454331

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate?
The IUPAC name of methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate (CID 61459472) is methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate.
What is the SMILES notation for methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate?
The canonical SMILES for methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate is COC(=O)C(C)S(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate?
The InChIKey is JIDHWCKCJRVTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7(9(12)15-2)16(13,14)11-5-3-4-8(10)6-11/h7-8H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate?
methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate has a molecular weight of 250.32 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate is sourced from PubChem (CID 61459472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).