1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide

C11H18N2O2S — CID 145497669

IUPAC1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide
SMILESCOCCCNS(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H18N2O2S/c1-15-7-3-6-13-16(14)9-10-4-2-5-11(12)8-10/h2,4-5,8,13H,3,6-7,9,12H2,1H3
InChIKeyCWINSXTXGXWGGX-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.06
Rot. Bonds7

About 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide

1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide (PubChem CID 145497669) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide
PubChem CID145497669
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide
SMILESCOCCCNS(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H18N2O2S/c1-15-7-3-6-13-16(14)9-10-4-2-5-11(12)8-10/h2,4-5,8,13H,3,6-7,9,12H2,1H3
InChIKeyCWINSXTXGXWGGX-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylsulfinylmethyl)aniline
CID 54594034
1-(3-aminophenyl)-N-methylmethanesulfinamide
CID 145497836
3-(methylsulfinylmethyl)aniline
CID 54593710
3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
3-(3-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 115341362
(3-aminophenyl)methanesulfinic acid
CID 19043009
(3-aminophenyl)methanesulfinyl iodide
CID 130291794
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
CID 115341872
1-(3-aminophenyl)-N-(3-ethoxypropyl)methanesulfonamide
CID 43256176
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
CID 104563895

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide?
The IUPAC name of 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide (CID 145497669) is 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide is COCCCNS(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide?
The InChIKey is CWINSXTXGXWGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-15-7-3-6-13-16(14)9-10-4-2-5-11(12)8-10/h2,4-5,8,13H,3,6-7,9,12H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide?
1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide has a molecular weight of 242.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide is sourced from PubChem (CID 145497669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).