4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

C13H23N3O2S — CID 127327716

IUPAC4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)11-5-7-16(8-6-11)19(17,18)12-9-14-15(4)10-12/h9-11H,5-8H2,1-4H3
InChIKeyYHODOHBSPPFRIU-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.87
Rot. Bonds2

About 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 127327716) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
PubChem CID127327716
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)11-5-7-16(8-6-11)19(17,18)12-9-14-15(4)10-12/h9-11H,5-8H2,1-4H3
InChIKeyYHODOHBSPPFRIU-UHFFFAOYSA-N
XLogP1.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (CID 127327716) is 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is Cn1cc(S(=O)(=O)N2CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is YHODOHBSPPFRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)11-5-7-16(8-6-11)19(17,18)12-9-14-15(4)10-12/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 285.41 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 127327716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).