N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide

C14H22N4O4S — CID 75373223

IUPACN-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(NC(=O)C3CCCO3)CC2)cn1
InChIInChI=1S/C14H22N4O4S/c1-17-10-12(9-15-17)23(20,21)18-6-4-11(5-7-18)16-14(19)13-3-2-8-22-13/h9-11,13H,2-8H2,1H3,(H,16,19)
InChIKeyUSLUOPQGAMHLOL-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.13
Rot. Bonds4

About N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide

N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide (PubChem CID 75373223) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
PubChem CID75373223
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(NC(=O)C3CCCO3)CC2)cn1
InChIInChI=1S/C14H22N4O4S/c1-17-10-12(9-15-17)23(20,21)18-6-4-11(5-7-18)16-14(19)13-3-2-8-22-13/h9-11,13H,2-8H2,1H3,(H,16,19)
InChIKeyUSLUOPQGAMHLOL-UHFFFAOYSA-N
XLogP-0.13
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide (CID 75373223) is N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide is Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3CCCO3)CC2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is USLUOPQGAMHLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-17-10-12(9-15-17)23(20,21)18-6-4-11(5-7-18)16-14(19)13-3-2-8-22-13/h9-11,13H,2-8H2,1H3,(H,16,19).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide?
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 75373223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).