3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one

C16H22N2OS — CID 62722436

IUPAC3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(SC3CCCC(C)C3)ccc21
InChIInChI=1S/C16H22N2OS/c1-10-4-3-5-11(8-10)20-12-6-7-13-14(9-12)18-16(19)15(13)17-2/h6-7,9-11,15,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyBUSCNRMDGFZBEU-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.57
Rot. Bonds3

About 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one

3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 62722436) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID62722436
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(SC3CCCC(C)C3)ccc21
InChIInChI=1S/C16H22N2OS/c1-10-4-3-5-11(8-10)20-12-6-7-13-14(9-12)18-16(19)15(13)17-2/h6-7,9-11,15,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyBUSCNRMDGFZBEU-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one (CID 62722436) is 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(SC3CCCC(C)C3)ccc21.
What is the InChIKey of 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is BUSCNRMDGFZBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-4-3-5-11(8-10)20-12-6-7-13-14(9-12)18-16(19)15(13)17-2/h6-7,9-11,15,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 290.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 62722436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).