[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone

C15H18N4O4S2 — CID 138810631

IUPAC[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3nsnc3C)CC2)cc1
InChIInChI=1S/C15H18N4O4S2/c1-11-14(17-24-16-11)15(20)18-7-9-19(10-8-18)25(21,22)13-5-3-12(23-2)4-6-13/h3-6H,7-10H2,1-2H3
InChIKeyHULJOWGODGZUIS-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.00
Rot. Bonds4

About [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone (PubChem CID 138810631) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
PubChem CID138810631
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3nsnc3C)CC2)cc1
InChIInChI=1S/C15H18N4O4S2/c1-11-14(17-24-16-11)15(20)18-7-9-19(10-8-18)25(21,22)13-5-3-12(23-2)4-6-13/h3-6H,7-10H2,1-2H3
InChIKeyHULJOWGODGZUIS-UHFFFAOYSA-N
XLogP1.00
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-aminopyrazin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 18274312
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 42571680
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646184
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 26765978
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2671434
(2-hydroxy-4-methylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 34231889
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 2031185
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
CID 60567147

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone (CID 138810631) is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nsnc3C)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is HULJOWGODGZUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-11-14(17-24-16-11)15(20)18-7-9-19(10-8-18)25(21,22)13-5-3-12(23-2)4-6-13/h3-6H,7-10H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 382.47 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 138810631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).