methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate

C11H22N2O6S2 — CID 61460744

IUPACmethyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O6S2/c1-19-11(14)6-4-8-21(17,18)13-7-3-5-10(9-13)12-20(2,15)16/h10,12H,3-9H2,1-2H3
InChIKeyCKTMJKICUKWSMZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.72
Rot. Bonds7

About methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate

methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate (PubChem CID 61460744) has the molecular formula C11H22N2O6S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate.

Molecular Properties

Compound Namemethyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate
PubChem CID61460744
Molecular FormulaC11H22N2O6S2
Molecular Weight342.44 g/mol
Exact Mass342.09
IUPAC Namemethyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O6S2/c1-19-11(14)6-4-8-21(17,18)13-7-3-5-10(9-13)12-20(2,15)16/h10,12H,3-9H2,1-2H3
InChIKeyCKTMJKICUKWSMZ-UHFFFAOYSA-N
XLogP-0.72
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
CID 54952481
methyl 4-(3-acetylpiperidin-1-yl)sulfonylbutanoate
CID 63852603
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
methyl 4-(3-methylpyrrolidin-1-yl)sulfonylbutanoate
CID 61460356
ethyl (3S)-1-(4-methoxy-4-oxobutyl)sulfonylpiperidine-3-carboxylate
CID 81308490
methyl 4-[[2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]acetyl]amino]butanoate
CID 95275410
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate
CID 61460228
methyl 4-(4-acetamidopiperidin-1-yl)sulfonylbutanoate
CID 115634589
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbutanoate
CID 115307199
methyl 4-(4-sulfamoylpiperazin-1-yl)sulfonylbutanoate
CID 61457490
methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate
CID 61460432

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate?
The IUPAC name of methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate (CID 61460744) is methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate.
What is the SMILES notation for methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate?
The canonical SMILES for methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate is COC(=O)CCCS(=O)(=O)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate?
The InChIKey is CKTMJKICUKWSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S2/c1-19-11(14)6-4-8-21(17,18)13-7-3-5-10(9-13)12-20(2,15)16/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate?
methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate has a molecular weight of 342.44 g/mol, XLogP of -0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate is sourced from PubChem (CID 61460744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).