(4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone

C11H16N2O3S2 — CID 1245404

IUPAC(4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cs1
InChIInChI=1S/C11H16N2O3S2/c1-9-7-10(8-17-9)11(14)12-3-5-13(6-4-12)18(2,15)16/h7-8H,3-6H2,1-2H3
InChIKeyPRWMJFYQPGFIJM-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.77
Rot. Bonds2

About (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone

(4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone (PubChem CID 1245404) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone
PubChem CID1245404
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cs1
InChIInChI=1S/C11H16N2O3S2/c1-9-7-10(8-17-9)11(14)12-3-5-13(6-4-12)18(2,15)16/h7-8H,3-6H2,1-2H3
InChIKeyPRWMJFYQPGFIJM-UHFFFAOYSA-N
XLogP0.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone (CID 1245404) is (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cs1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is PRWMJFYQPGFIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-9-7-10(8-17-9)11(14)12-3-5-13(6-4-12)18(2,15)16/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 1245404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).