1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide

C11H23NO3S — CID 165457261

IUPAC1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H23NO3S/c1-8(2)12-16(13,14)7-11-5-9(3)15-10(4)6-11/h8-12H,5-7H2,1-4H3/t9-,10+,11?
InChIKeyXHFQPADPURXYMM-ZACCUICWSA-N
MW249.38 g/mol
LogP1.52
Rot. Bonds4

About 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide

1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide (PubChem CID 165457261) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide
PubChem CID165457261
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H23NO3S/c1-8(2)12-16(13,14)7-11-5-9(3)15-10(4)6-11/h8-12H,5-7H2,1-4H3/t9-,10+,11?
InChIKeyXHFQPADPURXYMM-ZACCUICWSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide (CID 165457261) is 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)CC1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is XHFQPADPURXYMM-ZACCUICWSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-8(2)12-16(13,14)7-11-5-9(3)15-10(4)6-11/h8-12H,5-7H2,1-4H3/t9-,10+,11?.
What are the key properties of 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide?
1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 165457261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).