N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide

C16H26N4O4S — CID 75494366

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)CC3CCOCC3)C2=O)n(C)n1
InChIInChI=1S/C16H26N4O4S/c1-12-10-15(19(2)17-12)20-7-3-4-14(16(20)21)18-25(22,23)11-13-5-8-24-9-6-13/h10,13-14,18H,3-9,11H2,1-2H3
InChIKeySRMADZLDEGQJJS-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.57
Rot. Bonds5

About N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 75494366) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID75494366
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)CC3CCOCC3)C2=O)n(C)n1
InChIInChI=1S/C16H26N4O4S/c1-12-10-15(19(2)17-12)20-7-3-4-14(16(20)21)18-25(22,23)11-13-5-8-24-9-6-13/h10,13-14,18H,3-9,11H2,1-2H3
InChIKeySRMADZLDEGQJJS-UHFFFAOYSA-N
XLogP0.57
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide (CID 75494366) is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide is Cc1cc(N2CCCC(NS(=O)(=O)CC3CCOCC3)C2=O)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is SRMADZLDEGQJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-12-10-15(19(2)17-12)20-7-3-4-14(16(20)21)18-25(22,23)11-13-5-8-24-9-6-13/h10,13-14,18H,3-9,11H2,1-2H3.
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide?
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 75494366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).