(3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide

C7H15NO4S — CID 146050057

IUPAC(3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide
SMILESCC1(C)OCCOC1CS(N)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(2)6(5-13(8,9)10)11-3-4-12-7/h6H,3-5H2,1-2H3,(H2,8,9,10)
InChIKeyFQFUFZQHEJKLQD-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.53
Rot. Bonds2

About (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide

(3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide (PubChem CID 146050057) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name(3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide
PubChem CID146050057
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name(3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide
SMILESCC1(C)OCCOC1CS(N)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(2)6(5-13(8,9)10)11-3-4-12-7/h6H,3-5H2,1-2H3,(H2,8,9,10)
InChIKeyFQFUFZQHEJKLQD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide?
The IUPAC name of (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide (CID 146050057) is (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide.
What is the SMILES notation for (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide?
The canonical SMILES for (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide is CC1(C)OCCOC1CS(N)(=O)=O.
What is the InChIKey of (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide?
The InChIKey is FQFUFZQHEJKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2)6(5-13(8,9)10)11-3-4-12-7/h6H,3-5H2,1-2H3,(H2,8,9,10).
What are the key properties of (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide?
(3,3-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 (3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide is sourced from PubChem (CID 146050057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).