methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate

C11H21NO4S — CID 54952481

IUPACmethyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H21NO4S/c1-10-5-3-7-12(9-10)17(14,15)8-4-6-11(13)16-2/h10H,3-9H2,1-2H3
InChIKeyLBRALUULPKHDNM-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.00
Rot. Bonds5

About methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate

methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate (PubChem CID 54952481) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate.

Molecular Properties

Compound Namemethyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
PubChem CID54952481
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H21NO4S/c1-10-5-3-7-12(9-10)17(14,15)8-4-6-11(13)16-2/h10H,3-9H2,1-2H3
InChIKeyLBRALUULPKHDNM-UHFFFAOYSA-N
XLogP1.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methylpyrrolidin-1-yl)sulfonylbutanoate
CID 61460356
methyl 4-(3-acetylpiperidin-1-yl)sulfonylbutanoate
CID 63852603
methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate
CID 61460744
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
ethyl (3S)-1-(4-methoxy-4-oxobutyl)sulfonylpiperidine-3-carboxylate
CID 81308490
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
methyl 4-(4-sulfamoylpiperazin-1-yl)sulfonylbutanoate
CID 61457490
methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate
CID 61460432
methyl 4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]butanoate
CID 78993753

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate?
The IUPAC name of methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate (CID 54952481) is methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate.
What is the SMILES notation for methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate?
The canonical SMILES for methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate is COC(=O)CCCS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate?
The InChIKey is LBRALUULPKHDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-10-5-3-7-12(9-10)17(14,15)8-4-6-11(13)16-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate?
methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate has a molecular weight of 263.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate is sourced from PubChem (CID 54952481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).