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

C15H20N2OS — CID 19936654

IUPAC5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole
SMILESCOc1ccc2[nH]cc(SC3CCN(C)CC3)c2c1
InChIInChI=1S/C15H20N2OS/c1-17-7-5-12(6-8-17)19-15-10-16-14-4-3-11(18-2)9-13(14)15/h3-4,9-10,12,16H,5-8H2,1-2H3
InChIKeyWFLJYBDIDXNIQO-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.36
Rot. Bonds3

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

5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole (PubChem CID 19936654) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole
PubChem CID19936654
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole
SMILESCOc1ccc2[nH]cc(SC3CCN(C)CC3)c2c1
InChIInChI=1S/C15H20N2OS/c1-17-7-5-12(6-8-17)19-15-10-16-14-4-3-11(18-2)9-13(14)15/h3-4,9-10,12,16H,5-8H2,1-2H3
InChIKeyWFLJYBDIDXNIQO-UHFFFAOYSA-N
XLogP3.36
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole?
The IUPAC name of 5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole (CID 19936654) is 5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole.
What is the SMILES notation for 5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole?
The canonical SMILES for 5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole is COc1ccc2[nH]cc(SC3CCN(C)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole?
The InChIKey is WFLJYBDIDXNIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17-7-5-12(6-8-17)19-15-10-16-14-4-3-11(18-2)9-13(14)15/h3-4,9-10,12,16H,5-8H2,1-2H3.
What are the key properties of 5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole?
5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole has a molecular weight of 276.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole is sourced from PubChem (CID 19936654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).