1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide

C13H22N2O4S — CID 164638505

IUPAC1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide
SMILESCC1(C)CCC[C@H](CS(=O)(=O)NCCc2cnoc2)O1
InChIInChI=1S/C13H22N2O4S/c1-13(2)6-3-4-12(19-13)10-20(16,17)15-7-5-11-8-14-18-9-11/h8-9,12,15H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyFAPAKCHMGDTRAQ-GFCCVEGCSA-N
MW302.40 g/mol
LogP1.48
Rot. Bonds6

About 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide

1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide (PubChem CID 164638505) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide
PubChem CID164638505
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide
SMILESCC1(C)CCC[C@H](CS(=O)(=O)NCCc2cnoc2)O1
InChIInChI=1S/C13H22N2O4S/c1-13(2)6-3-4-12(19-13)10-20(16,17)15-7-5-11-8-14-18-9-11/h8-9,12,15H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyFAPAKCHMGDTRAQ-GFCCVEGCSA-N
XLogP1.48
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide (CID 164638505) is 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide is CC1(C)CCC[C@H](CS(=O)(=O)NCCc2cnoc2)O1.
What is the InChIKey of 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is FAPAKCHMGDTRAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-13(2)6-3-4-12(19-13)10-20(16,17)15-7-5-11-8-14-18-9-11/h8-9,12,15H,3-7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide?
1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 164638505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).