N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide

C12H22N2O4S — CID 65415873

IUPACN-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C12H22N2O4S/c1-3-19(17,18)13-11-6-8-14(9-7-11)12(16)5-4-10(2)15/h11,13H,3-9H2,1-2H3
InChIKeyUBVCZQSMIOUBAL-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.29
Rot. Bonds6

About N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide

N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 65415873) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
PubChem CID65415873
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC NameN-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CCC(C)=O)CC1
InChIInChI=1S/C12H22N2O4S/c1-3-19(17,18)13-11-6-8-14(9-7-11)12(16)5-4-10(2)15/h11,13H,3-9H2,1-2H3
InChIKeyUBVCZQSMIOUBAL-UHFFFAOYSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
4-(dimethylsulfamoylamino)-1-(4-oxopentanoyl)piperidine
CID 108567103
N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide
CID 78958031
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
4-[4-(ethylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992611
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
CID 60949730
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide (CID 65415873) is N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)CCC(C)=O)CC1.
What is the InChIKey of N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is UBVCZQSMIOUBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-3-19(17,18)13-11-6-8-14(9-7-11)12(16)5-4-10(2)15/h11,13H,3-9H2,1-2H3.
What are the key properties of N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 290.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 65415873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).