3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide

C9H22N2O3S — CID 115302785

IUPAC3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
SMILESCNCC(C)CNS(=O)(=O)CCCOC
InChIInChI=1S/C9H22N2O3S/c1-9(7-10-2)8-11-15(12,13)6-4-5-14-3/h9-11H,4-8H2,1-3H3
InChIKeyJIUWUOLLLCCXAP-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.20
Rot. Bonds9

About 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide

3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide (PubChem CID 115302785) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
PubChem CID115302785
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
SMILESCNCC(C)CNS(=O)(=O)CCCOC
InChIInChI=1S/C9H22N2O3S/c1-9(7-10-2)8-11-15(12,13)6-4-5-14-3/h9-11H,4-8H2,1-3H3
InChIKeyJIUWUOLLLCCXAP-UHFFFAOYSA-N
XLogP-0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide
CID 106050688
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 103731723
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290096
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
CID 104936720
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide (CID 115302785) is 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide is CNCC(C)CNS(=O)(=O)CCCOC.
What is the InChIKey of 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide?
The InChIKey is JIUWUOLLLCCXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-9(7-10-2)8-11-15(12,13)6-4-5-14-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide?
3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide is sourced from PubChem (CID 115302785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).