(5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione

C10H18N2O3 — CID 132502588

IUPAC(5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
SMILESCC(C)C[C@@H]1NC(=O)N(C(C)C)OC1=O
InChIInChI=1S/C10H18N2O3/c1-6(2)5-8-9(13)15-12(7(3)4)10(14)11-8/h6-8H,5H2,1-4H3,(H,11,14)/t8-/m0/s1
InChIKeyFXTLDUNSIYLXML-QMMMGPOBSA-N
MW214.26 g/mol
LogP1.29
Rot. Bonds3

About (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione

(5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione (PubChem CID 132502588) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione.

Molecular Properties

Compound Name(5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
PubChem CID132502588
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
SMILESCC(C)C[C@@H]1NC(=O)N(C(C)C)OC1=O
InChIInChI=1S/C10H18N2O3/c1-6(2)5-8-9(13)15-12(7(3)4)10(14)11-8/h6-8H,5H2,1-4H3,(H,11,14)/t8-/m0/s1
InChIKeyFXTLDUNSIYLXML-QMMMGPOBSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione?
The IUPAC name of (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione (CID 132502588) is (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione.
What is the SMILES notation for (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione?
The canonical SMILES for (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione is CC(C)C[C@@H]1NC(=O)N(C(C)C)OC1=O.
What is the InChIKey of (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione?
The InChIKey is FXTLDUNSIYLXML-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(2)5-8-9(13)15-12(7(3)4)10(14)11-8/h6-8H,5H2,1-4H3,(H,11,14)/t8-/m0/s1.
What are the key properties of (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione?
(5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione has a molecular weight of 214.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione is sourced from PubChem (CID 132502588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).