4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine

C14H19N3O2S2 — CID 20947435

IUPAC4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n[nH]1
InChIInChI=1S/C14H19N3O2S2/c1-10-5-7-17(8-6-10)21(18,19)14-4-3-13(20-14)12-9-11(2)15-16-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,16)
InChIKeyPHBJLIRFNCPWPX-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.87
Rot. Bonds3

About 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine

4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine (PubChem CID 20947435) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine
PubChem CID20947435
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n[nH]1
InChIInChI=1S/C14H19N3O2S2/c1-10-5-7-17(8-6-10)21(18,19)14-4-3-13(20-14)12-9-11(2)15-16-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,16)
InChIKeyPHBJLIRFNCPWPX-UHFFFAOYSA-N
XLogP2.87
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
CID 10497179
4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
CID 176376104
5-Methylsulfonyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 28097452
1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56714764
1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 71927020
1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 71927065
(3R*,4S*)-4-cyclopropyl-1-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)-3-thienyl]sulfonyl}pyrrolidin-3-amine
CID 72854836
5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 20947471
5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20947497
N-(4-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947432
N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947418
2-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 20947446

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine?
The IUPAC name of 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine (CID 20947435) is 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine is Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n[nH]1.
What is the InChIKey of 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine?
The InChIKey is PHBJLIRFNCPWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10-5-7-17(8-6-10)21(18,19)14-4-3-13(20-14)12-9-11(2)15-16-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine?
4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine has a molecular weight of 325.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperidine is sourced from PubChem (CID 20947435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).