2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide

C16H22O4S2 — CID 102092332

IUPAC2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide
SMILESO=S1CCCS(=O)C1[C@H](OC1CCCCO1)c1ccccc1
InChIInChI=1S/C16H22O4S2/c17-21-11-6-12-22(18)16(21)15(13-7-2-1-3-8-13)20-14-9-4-5-10-19-14/h1-3,7-8,14-16H,4-6,9-12H2/t14?,15-,16?,21?,22?/m1/s1
InChIKeyGKBWZTCOWYLOQQ-XOFDJMAYSA-N
MW342.48 g/mol
LogP2.50
Rot. Bonds4

About 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide

2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide (PubChem CID 102092332) has the molecular formula C16H22O4S2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide.

Molecular Properties

Compound Name2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide
PubChem CID102092332
Molecular FormulaC16H22O4S2
Molecular Weight342.48 g/mol
Exact Mass342.10
IUPAC Name2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide
SMILESO=S1CCCS(=O)C1[C@H](OC1CCCCO1)c1ccccc1
InChIInChI=1S/C16H22O4S2/c17-21-11-6-12-22(18)16(21)15(13-7-2-1-3-8-13)20-14-9-4-5-10-19-14/h1-3,7-8,14-16H,4-6,9-12H2/t14?,15-,16?,21?,22?/m1/s1
InChIKeyGKBWZTCOWYLOQQ-XOFDJMAYSA-N
XLogP2.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide?
The IUPAC name of 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide (CID 102092332) is 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide.
What is the SMILES notation for 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide?
The canonical SMILES for 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide is O=S1CCCS(=O)C1[C@H](OC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide?
The InChIKey is GKBWZTCOWYLOQQ-XOFDJMAYSA-N. The full InChI is InChI=1S/C16H22O4S2/c17-21-11-6-12-22(18)16(21)15(13-7-2-1-3-8-13)20-14-9-4-5-10-19-14/h1-3,7-8,14-16H,4-6,9-12H2/t14?,15-,16?,21?,22?/m1/s1.
What are the key properties of 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide?
2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide has a molecular weight of 342.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-oxan-2-yloxy(phenyl)methyl]-1,3-dithiane 1,3-dioxide is sourced from PubChem (CID 102092332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).