5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione

C18H18N4O4S2 — CID 51699283

IUPAC5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione
SMILESO=C1CSc2sc3c(=O)n(C[C@@H](c4ccco4)N4CCOCC4)cnc3c2N1
InChIInChI=1S/C18H18N4O4S2/c23-13-9-27-18-15(20-13)14-16(28-18)17(24)22(10-19-14)8-11(12-2-1-5-26-12)21-3-6-25-7-4-21/h1-2,5,10-11H,3-4,6-9H2,(H,20,23)/t11-/m0/s1
InChIKeyMKILHEXDGJIWOK-NSHDSACASA-N
MW418.50 g/mol
LogP2.17
Rot. Bonds4

About 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione

5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione (PubChem CID 51699283) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione.

Molecular Properties

Compound Name5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione
PubChem CID51699283
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione
SMILESO=C1CSc2sc3c(=O)n(C[C@@H](c4ccco4)N4CCOCC4)cnc3c2N1
InChIInChI=1S/C18H18N4O4S2/c23-13-9-27-18-15(20-13)14-16(28-18)17(24)22(10-19-14)8-11(12-2-1-5-26-12)21-3-6-25-7-4-21/h1-2,5,10-11H,3-4,6-9H2,(H,20,23)/t11-/m0/s1
InChIKeyMKILHEXDGJIWOK-NSHDSACASA-N
XLogP2.17
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione with MolForge

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Launch Full Analysis

Related Compounds

5-[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione
CID 51699311
5-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione
CID 46299949
3-[[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98232979
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine
CID 138988685
2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one
CID 95707334
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 7243445
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110621275
1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 93482584
2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one
CID 21008429
4-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 7243475
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7972800
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione?
The IUPAC name of 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione (CID 51699283) is 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione.
What is the SMILES notation for 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione?
The canonical SMILES for 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione is O=C1CSc2sc3c(=O)n(C[C@@H](c4ccco4)N4CCOCC4)cnc3c2N1.
What is the InChIKey of 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione?
The InChIKey is MKILHEXDGJIWOK-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N4O4S2/c23-13-9-27-18-15(20-13)14-16(28-18)17(24)22(10-19-14)8-11(12-2-1-5-26-12)21-3-6-25-7-4-21/h1-2,5,10-11H,3-4,6-9H2,(H,20,23)/t11-/m0/s1.
What are the key properties of 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione?
5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione has a molecular weight of 418.50 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione is sourced from PubChem (CID 51699283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).