(1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione

C8H12N2O2S — CID 119057595

IUPAC(1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione
SMILESCN1C(=O)[C@@]2(C)S[C@]1(C)C(=O)N2C
InChIInChI=1S/C8H12N2O2S/c1-7-5(11)10(4)8(2,13-7)6(12)9(7)3/h1-4H3/t7-,8-/m1/s1
InChIKeyNLYDNQWTJHVFLR-HTQZYQBOSA-N
MW200.26 g/mol
LogP0.10
Rot. Bonds

About (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione

(1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione (PubChem CID 119057595) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione.

Molecular Properties

Compound Name(1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione
PubChem CID119057595
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione
SMILESCN1C(=O)[C@@]2(C)S[C@]1(C)C(=O)N2C
InChIInChI=1S/C8H12N2O2S/c1-7-5(11)10(4)8(2,13-7)6(12)9(7)3/h1-4H3/t7-,8-/m1/s1
InChIKeyNLYDNQWTJHVFLR-HTQZYQBOSA-N
XLogP0.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione?
The IUPAC name of (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione (CID 119057595) is (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione.
What is the SMILES notation for (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione?
The canonical SMILES for (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione is CN1C(=O)[C@@]2(C)S[C@]1(C)C(=O)N2C.
What is the InChIKey of (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione?
The InChIKey is NLYDNQWTJHVFLR-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-7-5(11)10(4)8(2,13-7)6(12)9(7)3/h1-4H3/t7-,8-/m1/s1.
What are the key properties of (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione?
(1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione has a molecular weight of 200.26 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione is sourced from PubChem (CID 119057595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).