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

C16H21ClN2OS — CID 79344850

IUPAC5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(SC3CCCC(C)C3)c(Cl)cc21
InChIInChI=1S/C16H21ClN2OS/c1-9-4-3-5-10(6-9)21-14-8-13-11(7-12(14)17)15(18-2)16(20)19-13/h7-10,15,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyNVOYRPBQDSFBNC-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.22
Rot. Bonds3

About 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one

5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 79344850) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID79344850
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(SC3CCCC(C)C3)c(Cl)cc21
InChIInChI=1S/C16H21ClN2OS/c1-9-4-3-5-10(6-9)21-14-8-13-11(7-12(14)17)15(18-2)16(20)19-13/h7-10,15,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyNVOYRPBQDSFBNC-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
CID 62722436
5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one
CID 79336412
5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349836
5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342494
5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 79336484
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79348594
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79336270
3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
CID 63836044
5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 79336337
5-chloro-3-(methylamino)-6-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 79344854
5-chloro-3-(methylamino)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 115383119

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one (CID 79344850) is 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(SC3CCCC(C)C3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is NVOYRPBQDSFBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-9-4-3-5-10(6-9)21-14-8-13-11(7-12(14)17)15(18-2)16(20)19-13/h7-10,15,18H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 324.88 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).