1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C16H23N3O3S — CID 124681524

IUPAC1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CCCC[C@@H]3CN)cc21
InChIInChI=1S/C16H23N3O3S/c1-12(20)18-9-7-13-5-6-15(10-16(13)18)23(21,22)19-8-3-2-4-14(19)11-17/h5-6,10,14H,2-4,7-9,11,17H2,1H3/t14-/m1/s1
InChIKeyNUMXJUKUTVZZCN-CQSZACIVSA-N
MW337.45 g/mol
LogP1.10
Rot. Bonds3

About 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 124681524) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID124681524
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CCCC[C@@H]3CN)cc21
InChIInChI=1S/C16H23N3O3S/c1-12(20)18-9-7-13-5-6-15(10-16(13)18)23(21,22)19-8-3-2-4-14(19)11-17/h5-6,10,14H,2-4,7-9,11,17H2,1H3/t14-/m1/s1
InChIKeyNUMXJUKUTVZZCN-CQSZACIVSA-N
XLogP1.10
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119969556
1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110429038
1-[6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119972227
1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119990877
1-[5-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119984768
N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119969352
N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
CID 120708030
1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 65244298
1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119975059
1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120584869
1-[6-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 46283508
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 124681524) is 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCC[C@@H]3CN)cc21.
What is the InChIKey of 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is NUMXJUKUTVZZCN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(20)18-9-7-13-5-6-15(10-16(13)18)23(21,22)19-8-3-2-4-14(19)11-17/h5-6,10,14H,2-4,7-9,11,17H2,1H3/t14-/m1/s1.
What are the key properties of 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 337.45 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 124681524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).