6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one

C17H24N2OS — CID 60884081

IUPAC6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(SC3CCCCC3)ccc21
InChIInChI=1S/C17H24N2OS/c1-2-10-18-16-14-9-8-13(11-15(14)19-17(16)20)21-12-6-4-3-5-7-12/h8-9,11-12,16,18H,2-7,10H2,1H3,(H,19,20)
InChIKeyNLZSWVWOCSMHKB-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.10
Rot. Bonds5

About 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one

6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 60884081) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID60884081
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(SC3CCCCC3)ccc21
InChIInChI=1S/C17H24N2OS/c1-2-10-18-16-14-9-8-13(11-15(14)19-17(16)20)21-12-6-4-3-5-7-12/h8-9,11-12,16,18H,2-7,10H2,1H3,(H,19,20)
InChIKeyNLZSWVWOCSMHKB-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one (CID 60884081) is 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(SC3CCCCC3)ccc21.
What is the InChIKey of 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is NLZSWVWOCSMHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-10-18-16-14-9-8-13(11-15(14)19-17(16)20)21-12-6-4-3-5-7-12/h8-9,11-12,16,18H,2-7,10H2,1H3,(H,19,20).
What are the key properties of 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 304.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 60884081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).