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

C16H26N4O4S — CID 75495204

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)CCC3CCCO3)C2=O)n(C)n1
InChIInChI=1S/C16H26N4O4S/c1-12-11-15(19(2)17-12)20-8-3-6-14(16(20)21)18-25(22,23)10-7-13-5-4-9-24-13/h11,13-14,18H,3-10H2,1-2H3
InChIKeyFEFAXWWICQBILM-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.71
Rot. Bonds6

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

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide (PubChem CID 75495204) 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]-2-(oxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide
PubChem CID75495204
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)CCC3CCCO3)C2=O)n(C)n1
InChIInChI=1S/C16H26N4O4S/c1-12-11-15(19(2)17-12)20-8-3-6-14(16(20)21)18-25(22,23)10-7-13-5-4-9-24-13/h11,13-14,18H,3-10H2,1-2H3
InChIKeyFEFAXWWICQBILM-UHFFFAOYSA-N
XLogP0.71
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.71
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]-2-(oxolan-2-yl)ethanesulfonamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide (CID 75495204) is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide is Cc1cc(N2CCCC(NS(=O)(=O)CCC3CCCO3)C2=O)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide?
The InChIKey is FEFAXWWICQBILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-12-11-15(19(2)17-12)20-8-3-6-14(16(20)21)18-25(22,23)10-7-13-5-4-9-24-13/h11,13-14,18H,3-10H2,1-2H3.
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide?
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 0.71, 6 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]-2-(oxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 75495204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).