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

C12H17FN2O2S — CID 103495190

IUPAC2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
SMILESCCC(CN)S(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H17FN2O2S/c1-2-11(8-14)18(16,17)15-6-5-9-3-4-10(13)7-12(9)15/h3-4,7,11H,2,5-6,8,14H2,1H3
InChIKeyAQJZLTDUWAEUGI-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.26
Rot. Bonds4

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

2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine (PubChem CID 103495190) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine.

Molecular Properties

Compound Name2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
PubChem CID103495190
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
SMILESCCC(CN)S(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H17FN2O2S/c1-2-11(8-14)18(16,17)15-6-5-9-3-4-10(13)7-12(9)15/h3-4,7,11H,2,5-6,8,14H2,1H3
InChIKeyAQJZLTDUWAEUGI-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504239
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
CID 103495192
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
CID 113249349
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine
CID 103504236
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504259
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
CID 103504260
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine?
The IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine (CID 103495190) is 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine.
What is the SMILES notation for 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine?
The canonical SMILES for 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine is CCC(CN)S(=O)(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine?
The InChIKey is AQJZLTDUWAEUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-2-11(8-14)18(16,17)15-6-5-9-3-4-10(13)7-12(9)15/h3-4,7,11H,2,5-6,8,14H2,1H3.
What are the key properties of 2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine?
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine has a molecular weight of 272.34 g/mol, XLogP of 1.26, 4 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]butan-1-amine is sourced from PubChem (CID 103495190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).