1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone

C16H15ClN4O3S4 — CID 24559081

IUPAC1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccsc12)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H15ClN4O3S4/c17-12-1-2-14(27-12)28(23,24)21-6-4-20(5-7-21)13(22)9-26-16-15-11(3-8-25-15)18-10-19-16/h1-3,8,10H,4-7,9H2
InChIKeyHGUJWGVCJZLXSY-UHFFFAOYSA-N
MW475.04 g/mol
LogP3.03
Rot. Bonds5

About 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 24559081) has the molecular formula C16H15ClN4O3S4 and a molecular weight of 475.04 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
PubChem CID24559081
Molecular FormulaC16H15ClN4O3S4
Molecular Weight475.04 g/mol
Exact Mass473.97
IUPAC Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccsc12)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H15ClN4O3S4/c17-12-1-2-14(27-12)28(23,24)21-6-4-20(5-7-21)13(22)9-26-16-15-11(3-8-25-15)18-10-19-16/h1-3,8,10H,4-7,9H2
InChIKeyHGUJWGVCJZLXSY-UHFFFAOYSA-N
XLogP3.03
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.04
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,5-dimethylphenyl)sulfanylethanone
CID 24680207
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 24559078
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)sulfanylethanone
CID 35041590
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78773434
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2652588
1-(4-methylsulfonylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 17410554
3-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 24682062

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone (CID 24559081) is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone is O=C(CSc1ncnc2ccsc12)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is HGUJWGVCJZLXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S4/c17-12-1-2-14(27-12)28(23,24)21-6-4-20(5-7-21)13(22)9-26-16-15-11(3-8-25-15)18-10-19-16/h1-3,8,10H,4-7,9H2.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone?
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 475.04 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 24559081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).