5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole

C21H24N2OS — CID 15871195

IUPAC5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole
SMILESCOc1ccc(Sc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1
InChIInChI=1S/C21H24N2OS/c1-23-11-9-15(10-12-23)20-14-22-21-8-7-18(13-19(20)21)25-17-5-3-16(24-2)4-6-17/h3-8,13-15,22H,9-12H2,1-2H3
InChIKeyRUHVMCCAKYCSNG-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.14
Rot. Bonds4

About 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole

5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole (PubChem CID 15871195) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole
PubChem CID15871195
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole
SMILESCOc1ccc(Sc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1
InChIInChI=1S/C21H24N2OS/c1-23-11-9-15(10-12-23)20-14-22-21-8-7-18(13-19(20)21)25-17-5-3-16(24-2)4-6-17/h3-8,13-15,22H,9-12H2,1-2H3
InChIKeyRUHVMCCAKYCSNG-UHFFFAOYSA-N
XLogP5.14
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole?
The IUPAC name of 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole (CID 15871195) is 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole is COc1ccc(Sc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole?
The InChIKey is RUHVMCCAKYCSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-23-11-9-15(10-12-23)20-14-22-21-8-7-18(13-19(20)21)25-17-5-3-16(24-2)4-6-17/h3-8,13-15,22H,9-12H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole?
5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole has a molecular weight of 352.50 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 15871195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).