1,4-dioxan-2-ylmethanesulfonamide

C5H11NO4S — CID 112639869

IUPAC1,4-dioxan-2-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1COCCO1
InChIInChI=1S/C5H11NO4S/c6-11(7,8)4-5-3-9-1-2-10-5/h5H,1-4H2,(H2,6,7,8)
InChIKeyZVRKFLCODDGHBA-UHFFFAOYSA-N
MW181.21 g/mol
LogP-1.31
Rot. Bonds2

About 1,4-dioxan-2-ylmethanesulfonamide

1,4-dioxan-2-ylmethanesulfonamide (PubChem CID 112639869) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 1,4-dioxan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1,4-dioxan-2-ylmethanesulfonamide
PubChem CID112639869
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name1,4-dioxan-2-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1COCCO1
InChIInChI=1S/C5H11NO4S/c6-11(7,8)4-5-3-9-1-2-10-5/h5H,1-4H2,(H2,6,7,8)
InChIKeyZVRKFLCODDGHBA-UHFFFAOYSA-N
XLogP-1.31
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-ylmethanesulfonamide?
The IUPAC name of 1,4-dioxan-2-ylmethanesulfonamide (CID 112639869) is 1,4-dioxan-2-ylmethanesulfonamide.
What is the SMILES notation for 1,4-dioxan-2-ylmethanesulfonamide?
The canonical SMILES for 1,4-dioxan-2-ylmethanesulfonamide is NS(=O)(=O)CC1COCCO1.
What is the InChIKey of 1,4-dioxan-2-ylmethanesulfonamide?
The InChIKey is ZVRKFLCODDGHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c6-11(7,8)4-5-3-9-1-2-10-5/h5H,1-4H2,(H2,6,7,8).
What are the key properties of 1,4-dioxan-2-ylmethanesulfonamide?
1,4-dioxan-2-ylmethanesulfonamide has a molecular weight of 181.21 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-ylmethanesulfonamide is sourced from PubChem (CID 112639869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).