methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate

C11H20N2O5S — CID 110819832

IUPACmethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H20N2O5S/c1-18-11(15)4-3-10(14)13-7-5-9(6-8-13)12-19(2,16)17/h9,12H,3-8H2,1-2H3
InChIKeyTUSWQQUDWGTARH-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.52
Rot. Bonds5

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

methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate (PubChem CID 110819832) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
PubChem CID110819832
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Namemethyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H20N2O5S/c1-18-11(15)4-3-10(14)13-7-5-9(6-8-13)12-19(2,16)17/h9,12H,3-8H2,1-2H3
InChIKeyTUSWQQUDWGTARH-UHFFFAOYSA-N
XLogP-0.52
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
CID 54870016
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
CID 103155078
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 55484464
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 55484384
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
4-(dimethylsulfamoylamino)-1-(4-oxopentanoyl)piperidine
CID 108567103
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 110819831

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate (CID 110819832) is methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate is COC(=O)CCC(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate?
The InChIKey is TUSWQQUDWGTARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-18-11(15)4-3-10(14)13-7-5-9(6-8-13)12-19(2,16)17/h9,12H,3-8H2,1-2H3.
What are the key properties of methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate?
methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate has a molecular weight of 292.36 g/mol, XLogP of -0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 110819832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).