1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

C13H16ClN3O2S2 — CID 45178235

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H16ClN3O2S2/c1-9-7-15-16-13(9)10-3-2-6-17(8-10)21(18,19)12-5-4-11(14)20-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyBLASKPSPXUKMND-UHFFFAOYSA-N
MW345.88 g/mol
LogP3.00
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 45178235) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID45178235
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H16ClN3O2S2/c1-9-7-15-16-13(9)10-3-2-6-17(8-10)21(18,19)12-5-4-11(14)20-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyBLASKPSPXUKMND-UHFFFAOYSA-N
XLogP3.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 45178235) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is Cc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is BLASKPSPXUKMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-9-7-15-16-13(9)10-3-2-6-17(8-10)21(18,19)12-5-4-11(14)20-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 345.88 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 45178235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).