1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine

C14H19N3O2S2 — CID 75425732

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(c3ncc[nH]3)C2)s1
InChIInChI=1S/C14H19N3O2S2/c1-2-12-5-6-13(20-12)21(18,19)17-9-3-4-11(10-17)14-15-7-8-16-14/h5-8,11H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyARACGXMVMOPYBT-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.60
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine

1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine (PubChem CID 75425732) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
PubChem CID75425732
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(c3ncc[nH]3)C2)s1
InChIInChI=1S/C14H19N3O2S2/c1-2-12-5-6-13(20-12)21(18,19)17-9-3-4-11(10-17)14-15-7-8-16-14/h5-8,11H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyARACGXMVMOPYBT-UHFFFAOYSA-N
XLogP2.60
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine (CID 75425732) is 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine is CCc1ccc(S(=O)(=O)N2CCCC(c3ncc[nH]3)C2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
The InChIKey is ARACGXMVMOPYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-2-12-5-6-13(20-12)21(18,19)17-9-3-4-11(10-17)14-15-7-8-16-14/h5-8,11H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine has a molecular weight of 325.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 75425732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).