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

C19H28N4O2S2 — CID 20947571

IUPAC1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)s2)c1C
InChIInChI=1S/C19H28N4O2S2/c1-14-15(2)20-21-19(14)17-6-7-18(26-17)27(24,25)23-12-8-16(9-13-23)22-10-4-3-5-11-22/h6-7,16H,3-5,8-13H2,1-2H3,(H,20,21)
InChIKeyQLVVWQUMVINDEZ-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.39
Rot. Bonds4

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

1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine (PubChem CID 20947571) has the molecular formula C19H28N4O2S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
PubChem CID20947571
Molecular FormulaC19H28N4O2S2
Molecular Weight408.59 g/mol
Exact Mass408.17
IUPAC Name1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)s2)c1C
InChIInChI=1S/C19H28N4O2S2/c1-14-15(2)20-21-19(14)17-6-7-18(26-17)27(24,25)23-12-8-16(9-13-23)22-10-4-3-5-11-22/h6-7,16H,3-5,8-13H2,1-2H3,(H,20,21)
InChIKeyQLVVWQUMVINDEZ-UHFFFAOYSA-N
XLogP3.39
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine (CID 20947571) is 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine is Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)s2)c1C.
What is the InChIKey of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine?
The InChIKey is QLVVWQUMVINDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S2/c1-14-15(2)20-21-19(14)17-6-7-18(26-17)27(24,25)23-12-8-16(9-13-23)22-10-4-3-5-11-22/h6-7,16H,3-5,8-13H2,1-2H3,(H,20,21).
What are the key properties of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine?
1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine has a molecular weight of 408.59 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 20947571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).