1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine

C16H21N3O2S2 — CID 113074210

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)s1
InChIInChI=1S/C16H21N3O2S2/c1-2-15-3-4-16(22-15)23(20,21)19-11-9-18(10-12-19)13-14-5-7-17-8-6-14/h3-8H,2,9-13H2,1H3
InChIKeyDIDNZTUSUFZMKG-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.21
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine

1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 113074210) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
PubChem CID113074210
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)s1
InChIInChI=1S/C16H21N3O2S2/c1-2-15-3-4-16(22-15)23(20,21)19-11-9-18(10-12-19)13-14-5-7-17-8-6-14/h3-8H,2,9-13H2,1H3
InChIKeyDIDNZTUSUFZMKG-UHFFFAOYSA-N
XLogP2.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 55369200
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534071
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 90561924
4-[[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 110646657
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine
CID 113073430
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 113074376
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 122348014
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 110412116

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine (CID 113074210) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine is CCc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is DIDNZTUSUFZMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-2-15-3-4-16(22-15)23(20,21)19-11-9-18(10-12-19)13-14-5-7-17-8-6-14/h3-8H,2,9-13H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 351.50 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 113074210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).