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

C15H21N3O2S — CID 174415365

IUPAC3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine
SMILESCN1CCC(c2cn(N)c3ccc(S(C)(=O)=O)cc23)CC1
InChIInChI=1S/C15H21N3O2S/c1-17-7-5-11(6-8-17)14-10-18(16)15-4-3-12(9-13(14)15)21(2,19)20/h3-4,9-11H,5-8,16H2,1-2H3
InChIKeyZIBWLNXGHIKUOP-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.57
Rot. Bonds2

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

3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine (PubChem CID 174415365) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine
PubChem CID174415365
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine
SMILESCN1CCC(c2cn(N)c3ccc(S(C)(=O)=O)cc23)CC1
InChIInChI=1S/C15H21N3O2S/c1-17-7-5-11(6-8-17)14-10-18(16)15-4-3-12(9-13(14)15)21(2,19)20/h3-4,9-11H,5-8,16H2,1-2H3
InChIKeyZIBWLNXGHIKUOP-UHFFFAOYSA-N
XLogP1.57
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine (CID 174415365) is 3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine is CN1CCC(c2cn(N)c3ccc(S(C)(=O)=O)cc23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine?
The InChIKey is ZIBWLNXGHIKUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17-7-5-11(6-8-17)14-10-18(16)15-4-3-12(9-13(14)15)21(2,19)20/h3-4,9-11H,5-8,16H2,1-2H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine?
3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine has a molecular weight of 307.42 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine is sourced from PubChem (CID 174415365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).