(1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone

C24H26N2O3S2 — CID 118013366

IUPAC(1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCN(c2cccc3ccccc23)CC1c1cccs1
InChIInChI=1S/C24H26N2O3S2/c27-24(19-10-15-31(28,29)16-11-19)26-13-12-25(17-22(26)23-9-4-14-30-23)21-8-3-6-18-5-1-2-7-20(18)21/h1-9,14,19,22H,10-13,15-17H2
InChIKeyKJOMPEJABZPODX-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.12
Rot. Bonds3

About (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone

(1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone (PubChem CID 118013366) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone
PubChem CID118013366
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name(1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCN(c2cccc3ccccc23)CC1c1cccs1
InChIInChI=1S/C24H26N2O3S2/c27-24(19-10-15-31(28,29)16-11-19)26-13-12-25(17-22(26)23-9-4-14-30-23)21-8-3-6-18-5-1-2-7-20(18)21/h1-9,14,19,22H,10-13,15-17H2
InChIKeyKJOMPEJABZPODX-UHFFFAOYSA-N
XLogP4.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone (CID 118013366) is (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone is O=C(C1CCS(=O)(=O)CC1)N1CCN(c2cccc3ccccc23)CC1c1cccs1.
What is the InChIKey of (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone?
The InChIKey is KJOMPEJABZPODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c27-24(19-10-15-31(28,29)16-11-19)26-13-12-25(17-22(26)23-9-4-14-30-23)21-8-3-6-18-5-1-2-7-20(18)21/h1-9,14,19,22H,10-13,15-17H2.
What are the key properties of (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone?
(1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone has a molecular weight of 454.62 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl)-(4-naphthalen-1-yl-2-thiophen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 118013366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).