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

C14H20FN3O2S — CID 103504236

IUPAC[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(S(=O)(=O)N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C14H20FN3O2S/c15-13-4-3-12-5-7-18(14(12)8-13)21(19,20)17-6-1-2-11(9-16)10-17/h3-4,8,11H,1-2,5-7,9-10,16H2
InChIKeyANGCNHWXWJJWKB-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.10
Rot. Bonds3

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

[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine (PubChem CID 103504236) has the molecular formula C14H20FN3O2S and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine
PubChem CID103504236
Molecular FormulaC14H20FN3O2S
Molecular Weight313.40 g/mol
Exact Mass313.13
IUPAC Name[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(S(=O)(=O)N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C14H20FN3O2S/c15-13-4-3-12-5-7-18(14(12)8-13)21(19,20)17-6-1-2-11(9-16)10-17/h3-4,8,11H,1-2,5-7,9-10,16H2
InChIKeyANGCNHWXWJJWKB-UHFFFAOYSA-N
XLogP1.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride
CID 119968825
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 106061692
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
CID 103495190
3-(aminomethyl)-N-(2-chloro-4-fluorophenyl)piperidine-1-sulfonamide
CID 106028995
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
CID 103495192
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
CID 105494822
6-fluoro-1-(piperidin-2-ylmethylsulfonyl)-2,3-dihydroindole
CID 103498259
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
(1R)-6-fluoro-1-methyl-2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 97045264

Frequently Asked Questions

What is the IUPAC name of [1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine (CID 103504236) is [1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine is NCC1CCCN(S(=O)(=O)N2CCc3ccc(F)cc32)C1.
What is the InChIKey of [1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine?
The InChIKey is ANGCNHWXWJJWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2S/c15-13-4-3-12-5-7-18(14(12)8-13)21(19,20)17-6-1-2-11(9-16)10-17/h3-4,8,11H,1-2,5-7,9-10,16H2.
What are the key properties of [1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine?
[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine has a molecular weight of 313.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 103504236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).