[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide

C7H15NO4S — CID 164634173

IUPAC[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide
SMILESCC1(C)COC[C@H](CS(N)(=O)=O)O1
InChIInChI=1S/C7H15NO4S/c1-7(2)5-11-3-6(12-7)4-13(8,9)10/h6H,3-5H2,1-2H3,(H2,8,9,10)/t6-/m1/s1
InChIKeyMZMSABAZKJMOAD-ZCFIWIBFSA-N
MW209.27 g/mol
LogP-0.53
Rot. Bonds2

About [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide

[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide (PubChem CID 164634173) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide
PubChem CID164634173
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide
SMILESCC1(C)COC[C@H](CS(N)(=O)=O)O1
InChIInChI=1S/C7H15NO4S/c1-7(2)5-11-3-6(12-7)4-13(8,9)10/h6H,3-5H2,1-2H3,(H2,8,9,10)/t6-/m1/s1
InChIKeyMZMSABAZKJMOAD-ZCFIWIBFSA-N
XLogP-0.53
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,4-Dioxan-2-yl)methanesulfonamide
CID 112639869
2,3-Dimethoxypropane-1-sulfonamide
CID 134690757
(2-Methyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 137951713
(5,5-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 145874712
(3,3-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 146050056
(6-Methyl-1,4-dioxan-2-yl)methanesulfonylchloride
CID 155970231
(2,6,6-Trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 155970647
(2-Methyl-1,4-dioxan-2-yl)methanesulfonylfluoride
CID 138987467
(6,6-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
CID 165868988
(3,3-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
CID 165899428
[6-(Difluoromethyl)-6-methyl-1,4-dioxan-2-yl]methanesulfonamide
CID 165905570
(5,5-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
CID 165905620

Frequently Asked Questions

What is the IUPAC name of [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide?
The IUPAC name of [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide (CID 164634173) is [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide.
What is the SMILES notation for [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide?
The canonical SMILES for [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide is CC1(C)COC[C@H](CS(N)(=O)=O)O1.
What is the InChIKey of [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide?
The InChIKey is MZMSABAZKJMOAD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2)5-11-3-6(12-7)4-13(8,9)10/h6H,3-5H2,1-2H3,(H2,8,9,10)/t6-/m1/s1.
What are the key properties of [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide?
[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide has a molecular weight of 209.27 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide is sourced from PubChem (CID 164634173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).