1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine

C19H26N2O2S2 — CID 110399236

IUPAC1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine
SMILESCc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)c(C)c1
InChIInChI=1S/C19H26N2O2S2/c1-14-11-15(2)18(16(3)12-14)13-20-7-9-21(10-8-20)25(22,23)19-6-5-17(4)24-19/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyRIVFCQZYIMSLQO-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.49
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine

1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine (PubChem CID 110399236) has the molecular formula C19H26N2O2S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine
PubChem CID110399236
Molecular FormulaC19H26N2O2S2
Molecular Weight378.56 g/mol
Exact Mass378.14
IUPAC Name1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine
SMILESCc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)c(C)c1
InChIInChI=1S/C19H26N2O2S2/c1-14-11-15(2)18(16(3)12-14)13-20-7-9-21(10-8-20)25(22,23)19-6-5-17(4)24-19/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyRIVFCQZYIMSLQO-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 26424144
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757
N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 17458832
1-(5-bromothiophen-2-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
CID 9442908
2-(4-methylphenyl)sulfanyl-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 46566261
1-[3-(3-fluorophenyl)propyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110413541
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
(1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol
CID 34523338
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine (CID 110399236) is 1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine is Cc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)c(C)c1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine?
The InChIKey is RIVFCQZYIMSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S2/c1-14-11-15(2)18(16(3)12-14)13-20-7-9-21(10-8-20)25(22,23)19-6-5-17(4)24-19/h5-6,11-12H,7-10,13H2,1-4H3.
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine?
1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine has a molecular weight of 378.56 g/mol, XLogP of 3.49, 4 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-[(2,4,6-trimethylphenyl)methyl]piperazine is sourced from PubChem (CID 110399236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).