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

C12H22N2O5S — CID 110819833

IUPACmethyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
SMILESCCS(=O)(=O)NC1CCN(C(=O)CCC(=O)OC)CC1
InChIInChI=1S/C12H22N2O5S/c1-3-20(17,18)13-10-6-8-14(9-7-10)11(15)4-5-12(16)19-2/h10,13H,3-9H2,1-2H3
InChIKeyANTIGSRQGNRYRK-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.13
Rot. Bonds6

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

methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate (PubChem CID 110819833) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
PubChem CID110819833
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Namemethyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
SMILESCCS(=O)(=O)NC1CCN(C(=O)CCC(=O)OC)CC1
InChIInChI=1S/C12H22N2O5S/c1-3-20(17,18)13-10-6-8-14(9-7-10)11(15)4-5-12(16)19-2/h10,13H,3-9H2,1-2H3
InChIKeyANTIGSRQGNRYRK-UHFFFAOYSA-N
XLogP-0.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide
CID 78958031
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
CID 60949730
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate (CID 110819833) is methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate is CCS(=O)(=O)NC1CCN(C(=O)CCC(=O)OC)CC1.
What is the InChIKey of methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate?
The InChIKey is ANTIGSRQGNRYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-3-20(17,18)13-10-6-8-14(9-7-10)11(15)4-5-12(16)19-2/h10,13H,3-9H2,1-2H3.
What are the key properties of methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate?
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate has a molecular weight of 306.38 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 110819833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).