1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine

C14H24N2O3S2 — CID 113073430

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(CCCOC)CC2)s1
InChIInChI=1S/C14H24N2O3S2/c1-3-13-5-6-14(20-13)21(17,18)16-10-8-15(9-11-16)7-4-12-19-2/h5-6H,3-4,7-12H2,1-2H3
InChIKeyBITOWIQQAIOBLP-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.65
Rot. Bonds7

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine

1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine (PubChem CID 113073430) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine
PubChem CID113073430
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(CCCOC)CC2)s1
InChIInChI=1S/C14H24N2O3S2/c1-3-13-5-6-14(20-13)21(17,18)16-10-8-15(9-11-16)7-4-12-19-2/h5-6H,3-4,7-12H2,1-2H3
InChIKeyBITOWIQQAIOBLP-UHFFFAOYSA-N
XLogP1.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 113074376
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 110412116
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 90561924
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534071
1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 113074210
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(4-tert-butylphenyl)sulfonyl-4-(3-methoxypropyl)piperazine
CID 113073446
1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110708849
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110359006

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine (CID 113073430) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine is CCc1ccc(S(=O)(=O)N2CCN(CCCOC)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine?
The InChIKey is BITOWIQQAIOBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-3-13-5-6-14(20-13)21(17,18)16-10-8-15(9-11-16)7-4-12-19-2/h5-6H,3-4,7-12H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine has a molecular weight of 332.49 g/mol, XLogP of 1.65, 7 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-(3-methoxypropyl)piperazine is sourced from PubChem (CID 113073430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).