2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide

C9H17NO3S — CID 130791964

IUPAC2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(C[C@@H]2CO2)CC(C)S1(=O)=O
InChIInChI=1S/C9H17NO3S/c1-7-3-10(5-9-6-13-9)4-8(2)14(7,11)12/h7-9H,3-6H2,1-2H3/t7?,8?,9-/m1/s1
InChIKeyHPDGTGVBJGJYOI-AMDVSUOASA-N
MW219.31 g/mol
LogP-0.11
Rot. Bonds2

About 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide

2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 130791964) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID130791964
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(C[C@@H]2CO2)CC(C)S1(=O)=O
InChIInChI=1S/C9H17NO3S/c1-7-3-10(5-9-6-13-9)4-8(2)14(7,11)12/h7-9H,3-6H2,1-2H3/t7?,8?,9-/m1/s1
InChIKeyHPDGTGVBJGJYOI-AMDVSUOASA-N
XLogP-0.11
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide (CID 130791964) is 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide is CC1CN(C[C@@H]2CO2)CC(C)S1(=O)=O.
What is the InChIKey of 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is HPDGTGVBJGJYOI-AMDVSUOASA-N. The full InChI is InChI=1S/C9H17NO3S/c1-7-3-10(5-9-6-13-9)4-8(2)14(7,11)12/h7-9H,3-6H2,1-2H3/t7?,8?,9-/m1/s1.
What are the key properties of 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 219.31 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[(2R)-oxiran-2-yl]methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 130791964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).