2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide

C8H17N3O3S — CID 122702147

IUPAC2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide
SMILESC[C@@H]1CCN(C)C(=O)N1CCS(N)(=O)=O
InChIInChI=1S/C8H17N3O3S/c1-7-3-4-10(2)8(12)11(7)5-6-15(9,13)14/h7H,3-6H2,1-2H3,(H2,9,13,14)/t7-/m1/s1
InChIKeyOIEWMQZNYPDKFV-SSDOTTSWSA-N
MW235.31 g/mol
LogP-0.58
Rot. Bonds3

About 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide

2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide (PubChem CID 122702147) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide
PubChem CID122702147
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide
SMILESC[C@@H]1CCN(C)C(=O)N1CCS(N)(=O)=O
InChIInChI=1S/C8H17N3O3S/c1-7-3-4-10(2)8(12)11(7)5-6-15(9,13)14/h7H,3-6H2,1-2H3,(H2,9,13,14)/t7-/m1/s1
InChIKeyOIEWMQZNYPDKFV-SSDOTTSWSA-N
XLogP-0.58
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide?
The IUPAC name of 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide (CID 122702147) is 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide is C[C@@H]1CCN(C)C(=O)N1CCS(N)(=O)=O.
What is the InChIKey of 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide?
The InChIKey is OIEWMQZNYPDKFV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-7-3-4-10(2)8(12)11(7)5-6-15(9,13)14/h7H,3-6H2,1-2H3,(H2,9,13,14)/t7-/m1/s1.
What are the key properties of 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide?
2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide has a molecular weight of 235.31 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide is sourced from PubChem (CID 122702147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).