2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine

C10H13FN2O2S — CID 103495195

IUPAC2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
SMILESNCCS(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C10H13FN2O2S/c11-9-2-1-8-3-5-13(10(8)7-9)16(14,15)6-4-12/h1-2,7H,3-6,12H2
InChIKeyLQCMWOAGAJPBKG-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.48
Rot. Bonds3

About 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine

2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine (PubChem CID 103495195) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine.

Molecular Properties

Compound Name2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
PubChem CID103495195
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
SMILESNCCS(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C10H13FN2O2S/c11-9-2-1-8-3-5-13(10(8)7-9)16(14,15)6-4-12/h1-2,7H,3-6,12H2
InChIKeyLQCMWOAGAJPBKG-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504259
4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
CID 103504260
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
CID 103495192
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
CID 103495190
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
CID 113249349
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
6-fluoro-1-(piperidin-2-ylmethylsulfonyl)-2,3-dihydroindole
CID 103498259
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine
CID 103504236
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole
CID 103504169
7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline
CID 146149299
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504239

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine?
The IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine (CID 103495195) is 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine.
What is the SMILES notation for 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine?
The canonical SMILES for 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine is NCCS(=O)(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine?
The InChIKey is LQCMWOAGAJPBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-9-2-1-8-3-5-13(10(8)7-9)16(14,15)6-4-12/h1-2,7H,3-6,12H2.
What are the key properties of 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine?
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine has a molecular weight of 244.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine is sourced from PubChem (CID 103495195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).