1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine

C18H26N4O2S2 — CID 20947463

IUPAC1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)s2)n[nH]1
InChIInChI=1S/C18H26N4O2S2/c1-14-13-16(20-19-14)17-5-6-18(25-17)26(23,24)22-11-7-15(8-12-22)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12H2,1H3,(H,19,20)
InChIKeyYRFVKWLKTRBZOO-UHFFFAOYSA-N
MW394.57 g/mol
LogP3.09
Rot. Bonds4

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

1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine (PubChem CID 20947463) has the molecular formula C18H26N4O2S2 and a molecular weight of 394.57 g/mol. Its IUPAC name is 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
PubChem CID20947463
Molecular FormulaC18H26N4O2S2
Molecular Weight394.57 g/mol
Exact Mass394.15
IUPAC Name1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)s2)n[nH]1
InChIInChI=1S/C18H26N4O2S2/c1-14-13-16(20-19-14)17-5-6-18(25-17)26(23,24)22-11-7-15(8-12-22)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12H2,1H3,(H,19,20)
InChIKeyYRFVKWLKTRBZOO-UHFFFAOYSA-N
XLogP3.09
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine
CID 20947492
1-(3-chlorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
CID 20947441
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102692305
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 119980061
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
CID 63174913
1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 60519424
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 20947489
2-[5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 63540471
ethyl 1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2795657
4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine
CID 59468610

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine (CID 20947463) is 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine is Cc1cc(-c2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)s2)n[nH]1.
What is the InChIKey of 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine?
The InChIKey is YRFVKWLKTRBZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S2/c1-14-13-16(20-19-14)17-5-6-18(25-17)26(23,24)22-11-7-15(8-12-22)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12H2,1H3,(H,19,20).
What are the key properties of 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine?
1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine has a molecular weight of 394.57 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 20947463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).