3-methoxy-N-methylpropane-1-sulfonamide

C5H13NO3S — CID 63290089

IUPAC3-methoxy-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCOC
InChIInChI=1S/C5H13NO3S/c1-6-10(7,8)5-3-4-9-2/h6H,3-5H2,1-2H3
InChIKeyIAWBSTGTFVKBRR-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.43
Rot. Bonds5

About 3-methoxy-N-methylpropane-1-sulfonamide

3-methoxy-N-methylpropane-1-sulfonamide (PubChem CID 63290089) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-methoxy-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-methylpropane-1-sulfonamide
PubChem CID63290089
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name3-methoxy-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCOC
InChIInChI=1S/C5H13NO3S/c1-6-10(7,8)5-3-4-9-2/h6H,3-5H2,1-2H3
InChIKeyIAWBSTGTFVKBRR-UHFFFAOYSA-N
XLogP-0.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.43
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

3-hydroxy-N-methylpropane-1-sulfonamide
CID 18988131
3-Methoxypropane-1-sulfonamide
CID 22737399
1-Methoxypropane-2-sulfonamide
CID 54593170
2-methoxy-N-methylethane-1-sulfonamide
CID 59786686
3-Ethoxypropane-1-sulfonamide
CID 64147174
4-Methoxybutane-1-sulfonamide
CID 64198262
(2S)-1-methoxypropane-2-sulfonamide
CID 94475335
N-methyloxetane-3-sulfonamide
CID 97617711
N-butyl-2-methoxyethane-1-sulfonamide
CID 110300091
(2R)-1-methoxypropane-2-sulfonamide
CID 94475336
(3R)-N-methyloxolane-3-sulfonamide
CID 97167960
(3S)-N-methyloxolane-3-sulfonamide
CID 97167961

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-methylpropane-1-sulfonamide (CID 63290089) is 3-methoxy-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCOC.
What is the InChIKey of 3-methoxy-N-methylpropane-1-sulfonamide?
The InChIKey is IAWBSTGTFVKBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-6-10(7,8)5-3-4-9-2/h6H,3-5H2,1-2H3.
What are the key properties of 3-methoxy-N-methylpropane-1-sulfonamide?
3-methoxy-N-methylpropane-1-sulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 63290089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).