azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

C18H26N2O3S — CID 51200417

IUPACazocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
SMILESCC1Cc2cc(C(=O)N3CCCCCCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H26N2O3S/c1-14-12-16-13-15(8-9-17(16)20(14)24(2,22)23)18(21)19-10-6-4-3-5-7-11-19/h8-9,13-14H,3-7,10-12H2,1-2H3
InChIKeyIUHKHAWNASRWHG-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.80
Rot. Bonds2

About azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone (PubChem CID 51200417) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
PubChem CID51200417
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Nameazocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
SMILESCC1Cc2cc(C(=O)N3CCCCCCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H26N2O3S/c1-14-12-16-13-15(8-9-17(16)20(14)24(2,22)23)18(21)19-10-6-4-3-5-7-11-19/h8-9,13-14H,3-7,10-12H2,1-2H3
InChIKeyIUHKHAWNASRWHG-UHFFFAOYSA-N
XLogP2.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9036686
(3R)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 129491377
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586978
[(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 31006939
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 87029983
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 125146457
(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 46530769
(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9327258
[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42001064
[4-(4-fluorophenyl)piperazin-1-yl]-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9207276
[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 43050318

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
The IUPAC name of azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone (CID 51200417) is azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone.
What is the SMILES notation for azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
The canonical SMILES for azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone is CC1Cc2cc(C(=O)N3CCCCCCC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
The InChIKey is IUHKHAWNASRWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-12-16-13-15(8-9-17(16)20(14)24(2,22)23)18(21)19-10-6-4-3-5-7-11-19/h8-9,13-14H,3-7,10-12H2,1-2H3.
What are the key properties of azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone is sourced from PubChem (CID 51200417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).