3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine

C12H17FN2O2S — CID 103504259

IUPAC3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
SMILESCNCCCS(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H17FN2O2S/c1-14-6-2-8-18(16,17)15-7-5-10-3-4-11(13)9-12(10)15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyMHSFIENIPGXHCN-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.13
Rot. Bonds5

About 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine

3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine (PubChem CID 103504259) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
PubChem CID103504259
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
SMILESCNCCCS(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H17FN2O2S/c1-14-6-2-8-18(16,17)15-7-5-10-3-4-11(13)9-12(10)15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyMHSFIENIPGXHCN-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.13
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

4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
CID 103504260
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504239
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
CID 113249349
N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide
CID 112506348
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
CID 103495190
6-fluoro-1-(piperidin-2-ylmethylsulfonyl)-2,3-dihydroindole
CID 103498259
1-[2-(4-fluorophenoxy)ethylsulfonyl]-6-nitro-2,3-dihydroindole
CID 110306404
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole
CID 103504169

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine?
The IUPAC name of 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine (CID 103504259) is 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine is CNCCCS(=O)(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine?
The InChIKey is MHSFIENIPGXHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-14-6-2-8-18(16,17)15-7-5-10-3-4-11(13)9-12(10)15/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine?
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine has a molecular weight of 272.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine is sourced from PubChem (CID 103504259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).