(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C17H21F3N2O3S — CID 46530769

IUPAC(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1Cc2cc(C(=O)N3CCCC(C(F)(F)F)C3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H21F3N2O3S/c1-11-8-13-9-12(5-6-15(13)22(11)26(2,24)25)16(23)21-7-3-4-14(10-21)17(18,19)20/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyRBBNEFWOOYKUMK-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.81
Rot. Bonds2

About (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 46530769) has the molecular formula C17H21F3N2O3S and a molecular weight of 390.43 g/mol. Its IUPAC name is (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID46530769
Molecular FormulaC17H21F3N2O3S
Molecular Weight390.43 g/mol
Exact Mass390.12
IUPAC Name(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1Cc2cc(C(=O)N3CCCC(C(F)(F)F)C3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H21F3N2O3S/c1-11-8-13-9-12(5-6-15(13)22(11)26(2,24)25)16(23)21-7-3-4-14(10-21)17(18,19)20/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyRBBNEFWOOYKUMK-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 51200417
azepan-1-yl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9036686
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 125146457
[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586978
(3R)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 129491377
[(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 31006939
[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42001064
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 87029983
[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 43050318
[4-(4-fluorophenyl)piperazin-1-yl]-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9207276
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9207273

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 46530769) is (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CC1Cc2cc(C(=O)N3CCCC(C(F)(F)F)C3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is RBBNEFWOOYKUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3S/c1-11-8-13-9-12(5-6-15(13)22(11)26(2,24)25)16(23)21-7-3-4-14(10-21)17(18,19)20/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 390.43 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46530769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).