2,3-dimethoxypropane-1-sulfonamide

C5H13NO4S — CID 134690757

IUPAC2,3-dimethoxypropane-1-sulfonamide
SMILESCOCC(CS(N)(=O)=O)OC
InChIInChI=1S/C5H13NO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyINVKHNVEEZJRMM-UHFFFAOYSA-N
MW183.23 g/mol
LogP-1.06
Rot. Bonds5

About 2,3-dimethoxypropane-1-sulfonamide

2,3-dimethoxypropane-1-sulfonamide (PubChem CID 134690757) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2,3-dimethoxypropane-1-sulfonamide.

Molecular Properties

Compound Name2,3-dimethoxypropane-1-sulfonamide
PubChem CID134690757
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Name2,3-dimethoxypropane-1-sulfonamide
SMILESCOCC(CS(N)(=O)=O)OC
InChIInChI=1S/C5H13NO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyINVKHNVEEZJRMM-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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Related Compounds

2-[2-(2-Methoxyethoxy)ethoxy]ethane-1-sulfonamide
CID 22491152
3-Methoxypropane-1-sulfonamide
CID 22737399
2-(Propan-2-yloxy)ethane-1-sulfonamide
CID 54593133
1-Methoxypropane-2-sulfonamide
CID 54593170
(2S)-1-methoxypropane-2-sulfonamide
CID 94475335
2-Methoxypropane-1-sulfonamide
CID 86767755
(2R)-1-methoxypropane-2-sulfonamide
CID 94475336
(1,4-Dioxan-2-yl)methanesulfonamide
CID 112639869
1,3-Dimethoxypropane-2-sulfonamide
CID 122163196
2,3-Dimethoxypropane-1-sulfonyl chloride
CID 122164421
(2R)-2,3-dimethoxypropane-1-sulfonyl chloride
CID 125424529
(2S)-2,3-dimethoxypropane-1-sulfonyl chloride
CID 125424530

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypropane-1-sulfonamide?
The IUPAC name of 2,3-dimethoxypropane-1-sulfonamide (CID 134690757) is 2,3-dimethoxypropane-1-sulfonamide.
What is the SMILES notation for 2,3-dimethoxypropane-1-sulfonamide?
The canonical SMILES for 2,3-dimethoxypropane-1-sulfonamide is COCC(CS(N)(=O)=O)OC.
What is the InChIKey of 2,3-dimethoxypropane-1-sulfonamide?
The InChIKey is INVKHNVEEZJRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 2,3-dimethoxypropane-1-sulfonamide?
2,3-dimethoxypropane-1-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 2,3-dimethoxypropane-1-sulfonamide is sourced from PubChem (CID 134690757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).