4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine

C20H20N2OS2 — CID 142720043

IUPAC4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine
SMILESc1ccc2cc(C3CNSc4sc(N5CCOCC5)cc43)ccc2c1
InChIInChI=1S/C20H20N2OS2/c1-2-4-15-11-16(6-5-14(15)3-1)18-13-21-25-20-17(18)12-19(24-20)22-7-9-23-10-8-22/h1-6,11-12,18,21H,7-10,13H2
InChIKeyXHRGVJHMYZACAV-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.48
Rot. Bonds2

About 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine

4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine (PubChem CID 142720043) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine.

Molecular Properties

Compound Name4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine
PubChem CID142720043
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine
SMILESc1ccc2cc(C3CNSc4sc(N5CCOCC5)cc43)ccc2c1
InChIInChI=1S/C20H20N2OS2/c1-2-4-15-11-16(6-5-14(15)3-1)18-13-21-25-20-17(18)12-19(24-20)22-7-9-23-10-8-22/h1-6,11-12,18,21H,7-10,13H2
InChIKeyXHRGVJHMYZACAV-UHFFFAOYSA-N
XLogP4.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-Benzo[b]pyren-6-ylthiophen-2-yl)morpholine
CID 11133553
6-Morpholin-4-yl-4-naphthalen-2-yl-2,3-dihydrothieno[3,2-e]thiazin-4-ol
CID 123801267
4-(5-Methyl-3-naphthalen-2-ylthiophen-2-yl)morpholine
CID 85857225

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine?
The IUPAC name of 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine (CID 142720043) is 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine.
What is the SMILES notation for 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine?
The canonical SMILES for 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine is c1ccc2cc(C3CNSc4sc(N5CCOCC5)cc43)ccc2c1.
What is the InChIKey of 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine?
The InChIKey is XHRGVJHMYZACAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-2-4-15-11-16(6-5-14(15)3-1)18-13-21-25-20-17(18)12-19(24-20)22-7-9-23-10-8-22/h1-6,11-12,18,21H,7-10,13H2.
What are the key properties of 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine?
4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine has a molecular weight of 368.53 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-yl-3,4-dihydro-2H-thieno[3,2-e]thiazin-6-yl)morpholine is sourced from PubChem (CID 142720043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).