(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

C12H17ClN2O3S2 — CID 110804822

IUPAC(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H17ClN2O3S2/c1-2-9-20(17,18)15-7-5-14(6-8-15)12(16)10-3-4-11(13)19-10/h3-4H,2,5-9H2,1H3
InChIKeyMFDLJHYSPFNROJ-UHFFFAOYSA-N
MW336.87 g/mol
LogP1.90
Rot. Bonds4

About (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 110804822) has the molecular formula C12H17ClN2O3S2 and a molecular weight of 336.87 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID110804822
Molecular FormulaC12H17ClN2O3S2
Molecular Weight336.87 g/mol
Exact Mass336.04
IUPAC Name(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H17ClN2O3S2/c1-2-9-20(17,18)15-7-5-14(6-8-15)12(16)10-3-4-11(13)19-10/h3-4H,2,5-9H2,1H3
InChIKeyMFDLJHYSPFNROJ-UHFFFAOYSA-N
XLogP1.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide
CID 55862249
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 2971243
(5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 7921522
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
(4-chloro-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 81230618
(5-chlorothiophen-2-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4808834
(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 47886259
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 110804822) is (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is MFDLJHYSPFNROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S2/c1-2-9-20(17,18)15-7-5-14(6-8-15)12(16)10-3-4-11(13)19-10/h3-4H,2,5-9H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 336.87 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 110804822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).