1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine

C18H24N2O2S2 — CID 113074757

IUPAC1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)s1
InChIInChI=1S/C18H24N2O2S2/c1-16-9-10-18(23-16)24(21,22)20-14-12-19(13-15-20)11-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10H,5,8,11-15H2,1H3
InChIKeyBUWFEFIXWJYXDJ-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.00
Rot. Bonds6

About 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine

1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine (PubChem CID 113074757) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
PubChem CID113074757
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)s1
InChIInChI=1S/C18H24N2O2S2/c1-16-9-10-18(23-16)24(21,22)20-14-12-19(13-15-20)11-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10H,5,8,11-15H2,1H3
InChIKeyBUWFEFIXWJYXDJ-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-fluorophenyl)propyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110413541
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 110874340
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55390614
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 110399236
5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389179
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine (CID 113074757) is 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine?
The InChIKey is BUWFEFIXWJYXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-16-9-10-18(23-16)24(21,22)20-14-12-19(13-15-20)11-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10H,5,8,11-15H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine?
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine has a molecular weight of 364.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 113074757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).