3-methoxypropane-1-sulfonamide

C4H11NO3S — CID 22737399

IUPAC3-methoxypropane-1-sulfonamide
SMILESCOCCCS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKeyWCEYYHIMDPOBRD-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.69
Rot. Bonds4

About 3-methoxypropane-1-sulfonamide

3-methoxypropane-1-sulfonamide (PubChem CID 22737399) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxypropane-1-sulfonamide
PubChem CID22737399
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name3-methoxypropane-1-sulfonamide
SMILESCOCCCS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKeyWCEYYHIMDPOBRD-UHFFFAOYSA-N
XLogP-0.69
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethanesulfonamide;hydrofluoride
CID 18951505
3-methoxypropane-1-sulfonyl fluoride
CID 46899852
methyl 3-methoxypropane-1-sulfonate
CID 59109575
dodecane-1,12-disulfonamide
CID 57288842
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide
CID 153437849
1-(3-methoxypropylsulfonyl)-2,2-dimethylpropane
CID 134597513
1-ethenylsulfonyl-3-methoxypropane
CID 63857366
6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
CID 106668491
1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine
CID 107508649
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
5-methoxypentane-2-sulfonamide
CID 165447224

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropane-1-sulfonamide?
The IUPAC name of 3-methoxypropane-1-sulfonamide (CID 22737399) is 3-methoxypropane-1-sulfonamide.
What is the SMILES notation for 3-methoxypropane-1-sulfonamide?
The canonical SMILES for 3-methoxypropane-1-sulfonamide is COCCCS(N)(=O)=O.
What is the InChIKey of 3-methoxypropane-1-sulfonamide?
The InChIKey is WCEYYHIMDPOBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7).
What are the key properties of 3-methoxypropane-1-sulfonamide?
3-methoxypropane-1-sulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 22737399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).