(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone

C17H18N2OS — CID 83209308

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C17H18N2OS/c1-11-9-12-7-8-19(15(12)10-14(11)18)17(20)13-5-3-4-6-16(13)21-2/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyKATXBQOXIWOHFM-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.50
Rot. Bonds2

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone (PubChem CID 83209308) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone
PubChem CID83209308
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C17H18N2OS/c1-11-9-12-7-8-19(15(12)10-14(11)18)17(20)13-5-3-4-6-16(13)21-2/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyKATXBQOXIWOHFM-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-fluorophenyl)methanone
CID 107948882
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-methylphenyl)methanone
CID 83209869
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 83210257
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 83209700
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 83209696
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 83210068
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
CID 83210072
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
CID 83213519
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 83212613
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone
CID 83213262
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
CID 83210260
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 83212528

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone (CID 83209308) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CCc2cc(C)c(N)cc21.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is KATXBQOXIWOHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-9-12-7-8-19(15(12)10-14(11)18)17(20)13-5-3-4-6-16(13)21-2/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 298.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 83209308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).