1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine

C18H24N2O3S2 — CID 110358219

IUPAC1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1ccccc1CCCN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O3S2/c1-23-17-8-3-2-6-16(17)7-4-10-19-11-13-20(14-12-19)25(21,22)18-9-5-15-24-18/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3
InChIKeyPIAXPGIDIIIXET-UHFFFAOYSA-N
MW380.53 g/mol
LogP2.70
Rot. Bonds7

About 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine

1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 110358219) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID110358219
Molecular FormulaC18H24N2O3S2
Molecular Weight380.53 g/mol
Exact Mass380.12
IUPAC Name1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1ccccc1CCCN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O3S2/c1-23-17-8-3-2-6-16(17)7-4-10-19-11-13-20(14-12-19)25(21,22)18-9-5-15-24-18/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3
InChIKeyPIAXPGIDIIIXET-UHFFFAOYSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356564
1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356569
1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110601997
N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411428
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
1-(2-chloroethyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane
CID 63397546
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411379
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110358210
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8553411

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine (CID 110358219) is 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine is COc1ccccc1CCCN1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is PIAXPGIDIIIXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-23-17-8-3-2-6-16(17)7-4-10-19-11-13-20(14-12-19)25(21,22)18-9-5-15-24-18/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3.
What are the key properties of 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 380.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 110358219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).