(3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

C8H10N2O2S2 — CID 12575662

IUPAC(3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESO=C1[C@@H]2CSCN2C(=O)[C@@H]2CSCN12
InChIInChI=1S/C8H10N2O2S2/c11-7-5-1-13-3-9(5)8(12)6-2-14-4-10(6)7/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyIBBKEOUUWVDDIT-WDSKDSINSA-N
MW230.31 g/mol
LogP-0.20
Rot. Bonds

About (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

(3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (PubChem CID 12575662) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.

Molecular Properties

Compound Name(3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
PubChem CID12575662
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC Name(3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESO=C1[C@@H]2CSCN2C(=O)[C@@H]2CSCN12
InChIInChI=1S/C8H10N2O2S2/c11-7-5-1-13-3-9(5)8(12)6-2-14-4-10(6)7/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyIBBKEOUUWVDDIT-WDSKDSINSA-N
XLogP-0.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione with MolForge

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Related Compounds

6-methyl-1H,3H-thiazolo[4,3-c][1,4]thiazine-5,8-dione
CID 13599166
5,11-Dithia-1,7-diazatricyclo[7.3.0.0,3,7]dodecane-2,8-dione
CID 337519
7-Isopropyltetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 355355
3,3,8,8-tetramethyltetrahydrodithiazolo[3,4-a:3',4'-d]pyrazine-5,10(3H,8H)-dione
CID 2853992
(3R,9S)-5-thia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 23427100
(3S,9S)-4,4,6,6,10,10,12,12-octamethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 3003948
(3S,9S)-5-thia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 44576120
(3S,9R)-6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 760093
(3R,9R)-6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 760098
5a,10a-Bis(methylthio)octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione
CID 56954533
5-Thia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 74052149
4-Thia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 91292334

Frequently Asked Questions

What is the IUPAC name of (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The IUPAC name of (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (CID 12575662) is (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.
What is the SMILES notation for (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The canonical SMILES for (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is O=C1[C@@H]2CSCN2C(=O)[C@@H]2CSCN12.
What is the InChIKey of (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The InChIKey is IBBKEOUUWVDDIT-WDSKDSINSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c11-7-5-1-13-3-9(5)8(12)6-2-14-4-10(6)7/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
(3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione has a molecular weight of 230.31 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is sourced from PubChem (CID 12575662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).