5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine

C16H23N3O2S — CID 174382438

IUPAC5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine
SMILESCc1ccc2c(c1)c(C1CCN(C)CC1)c(S(C)(=O)=O)n2N
InChIInChI=1S/C16H23N3O2S/c1-11-4-5-14-13(10-11)15(12-6-8-18(2)9-7-12)16(19(14)17)22(3,20)21/h4-5,10,12H,6-9,17H2,1-3H3
InChIKeyVQAKCMHCOXUFIS-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.88
Rot. Bonds2

About 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine

5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine (PubChem CID 174382438) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine.

Molecular Properties

Compound Name5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine
PubChem CID174382438
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine
SMILESCc1ccc2c(c1)c(C1CCN(C)CC1)c(S(C)(=O)=O)n2N
InChIInChI=1S/C16H23N3O2S/c1-11-4-5-14-13(10-11)15(12-6-8-18(2)9-7-12)16(19(14)17)22(3,20)21/h4-5,10,12H,6-9,17H2,1-3H3
InChIKeyVQAKCMHCOXUFIS-UHFFFAOYSA-N
XLogP1.88
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine?
The IUPAC name of 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine (CID 174382438) is 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine.
What is the SMILES notation for 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine?
The canonical SMILES for 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine is Cc1ccc2c(c1)c(C1CCN(C)CC1)c(S(C)(=O)=O)n2N.
What is the InChIKey of 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine?
The InChIKey is VQAKCMHCOXUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-4-5-14-13(10-11)15(12-6-8-18(2)9-7-12)16(19(14)17)22(3,20)21/h4-5,10,12H,6-9,17H2,1-3H3.
What are the key properties of 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine?
5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine has a molecular weight of 321.45 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylpiperidin-4-yl)-2-methylsulfonylindol-1-amine is sourced from PubChem (CID 174382438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).