1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine

C18H24N2O2S2 — CID 113076455

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1cccc(C(C)C)c1N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O2S2/c1-14(2)16-7-4-6-15(3)18(16)19-9-11-20(12-10-19)24(21,22)17-8-5-13-23-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyAELJEARZCNFOPK-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine

1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 113076455) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID113076455
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1cccc(C(C)C)c1N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O2S2/c1-14(2)16-7-4-6-15(3)18(16)19-9-11-20(12-10-19)24(21,22)17-8-5-13-23-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyAELJEARZCNFOPK-UHFFFAOYSA-N
XLogP3.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076408
4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 26539778
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696
3,6-dimethyl-1-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-dione
CID 20933009
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 9161620
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 113078798
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 113076455) is 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine is Cc1cccc(C(C)C)c1N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is AELJEARZCNFOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-14(2)16-7-4-6-15(3)18(16)19-9-11-20(12-10-19)24(21,22)17-8-5-13-23-17/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 364.54 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 113076455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).