[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone

C16H18N2O3S2 — CID 2712602

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cs1
InChIInChI=1S/C16H18N2O3S2/c1-13-11-14(12-22-13)16(19)17-7-9-18(10-8-17)23(20,21)15-5-3-2-4-6-15/h2-6,11-12H,7-10H2,1H3
InChIKeyXOBSMXRAMDEQSW-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.20
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone (PubChem CID 2712602) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone
PubChem CID2712602
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cs1
InChIInChI=1S/C16H18N2O3S2/c1-13-11-14(12-22-13)16(19)17-7-9-18(10-8-17)23(20,21)15-5-3-2-4-6-15/h2-6,11-12H,7-10H2,1H3
InChIKeyXOBSMXRAMDEQSW-UHFFFAOYSA-N
XLogP2.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone (CID 2712602) is [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cs1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is XOBSMXRAMDEQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-13-11-14(12-22-13)16(19)17-7-9-18(10-8-17)23(20,21)15-5-3-2-4-6-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 350.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 2712602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).