N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

C11H18N4O3S — CID 86775185

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCc1cc(N2CCCC(NS(C)(=O)=O)C2=O)n(C)n1
InChIInChI=1S/C11H18N4O3S/c1-8-7-10(14(2)12-8)15-6-4-5-9(11(15)16)13-19(3,17)18/h7,9,13H,4-6H2,1-3H3
InChIKeyYFGIJLTVPADXMI-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.23
Rot. Bonds3

About N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (PubChem CID 86775185) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
PubChem CID86775185
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCc1cc(N2CCCC(NS(C)(=O)=O)C2=O)n(C)n1
InChIInChI=1S/C11H18N4O3S/c1-8-7-10(14(2)12-8)15-6-4-5-9(11(15)16)13-19(3,17)18/h7,9,13H,4-6H2,1-3H3
InChIKeyYFGIJLTVPADXMI-UHFFFAOYSA-N
XLogP-0.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (CID 86775185) is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is Cc1cc(N2CCCC(NS(C)(=O)=O)C2=O)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The InChIKey is YFGIJLTVPADXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-7-10(14(2)12-8)15-6-4-5-9(11(15)16)13-19(3,17)18/h7,9,13H,4-6H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 86775185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).