5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine

C22H27N3O3S — CID 167454960

IUPAC5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
SMILESCOCc1cc(NC2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C22H27N3O3S/c1-28-15-16-12-18-14-20(17-6-4-3-5-7-17)24-22(18)21(13-16)23-19-8-10-25(11-9-19)29(2,26)27/h3-7,12-14,19,23-24H,8-11,15H2,1-2H3
InChIKeyJRYAXZUUWIEHRV-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.82
Rot. Bonds6

About 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine

5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine (PubChem CID 167454960) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
PubChem CID167454960
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
SMILESCOCc1cc(NC2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C22H27N3O3S/c1-28-15-16-12-18-14-20(17-6-4-3-5-7-17)24-22(18)21(13-16)23-19-8-10-25(11-9-19)29(2,26)27/h3-7,12-14,19,23-24H,8-11,15H2,1-2H3
InChIKeyJRYAXZUUWIEHRV-UHFFFAOYSA-N
XLogP3.82
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine?
The IUPAC name of 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine (CID 167454960) is 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine?
The canonical SMILES for 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine is COCc1cc(NC2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine?
The InChIKey is JRYAXZUUWIEHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-28-15-16-12-18-14-20(17-6-4-3-5-7-17)24-22(18)21(13-16)23-19-8-10-25(11-9-19)29(2,26)27/h3-7,12-14,19,23-24H,8-11,15H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine?
5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine has a molecular weight of 413.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine is sourced from PubChem (CID 167454960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).