1,3-dimethoxypropane-2-sulfonamide

C5H13NO4S — CID 122163196

IUPAC1,3-dimethoxypropane-2-sulfonamide
SMILESCOCC(COC)S(N)(=O)=O
InChIInChI=1S/C5H13NO4S/c1-9-3-5(4-10-2)11(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyTXZCLYIEOHWEDD-UHFFFAOYSA-N
MW183.23 g/mol
LogP-1.06
Rot. Bonds5

About 1,3-dimethoxypropane-2-sulfonamide

1,3-dimethoxypropane-2-sulfonamide (PubChem CID 122163196) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is 1,3-dimethoxypropane-2-sulfonamide.

Molecular Properties

Compound Name1,3-dimethoxypropane-2-sulfonamide
PubChem CID122163196
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Name1,3-dimethoxypropane-2-sulfonamide
SMILESCOCC(COC)S(N)(=O)=O
InChIInChI=1S/C5H13NO4S/c1-9-3-5(4-10-2)11(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyTXZCLYIEOHWEDD-UHFFFAOYSA-N
XLogP-1.06
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypropane-2-sulfonamide?
The IUPAC name of 1,3-dimethoxypropane-2-sulfonamide (CID 122163196) is 1,3-dimethoxypropane-2-sulfonamide.
What is the SMILES notation for 1,3-dimethoxypropane-2-sulfonamide?
The canonical SMILES for 1,3-dimethoxypropane-2-sulfonamide is COCC(COC)S(N)(=O)=O.
What is the InChIKey of 1,3-dimethoxypropane-2-sulfonamide?
The InChIKey is TXZCLYIEOHWEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c1-9-3-5(4-10-2)11(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 1,3-dimethoxypropane-2-sulfonamide?
1,3-dimethoxypropane-2-sulfonamide has a molecular weight of 183.23 g/mol, XLogP of -1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypropane-2-sulfonamide is sourced from PubChem (CID 122163196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).