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

C17H20N2O3S2 — CID 4502125

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
SMILESCc1scc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C17H20N2O3S2/c1-13-14(2)23-12-16(13)17(20)18-8-10-19(11-9-18)24(21,22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyNMXDHQPOUCHSEN-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.51
Rot. Bonds3

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

[4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone (PubChem CID 4502125) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
PubChem CID4502125
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
SMILESCc1scc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C17H20N2O3S2/c1-13-14(2)23-12-16(13)17(20)18-8-10-19(11-9-18)24(21,22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyNMXDHQPOUCHSEN-UHFFFAOYSA-N
XLogP2.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.51
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]-(4,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone (CID 4502125) is [4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone is Cc1scc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone?
The InChIKey is NMXDHQPOUCHSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-14(2)23-12-16(13)17(20)18-8-10-19(11-9-18)24(21,22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 2.51, 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]-(4,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 4502125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).