N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide

C15H19N3O2S — CID 10425204

IUPACN-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide
SMILESCN1CC=C(c2c[nH]c3ccc(NS(C)(=O)=O)cc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-18-7-5-11(6-8-18)14-10-16-15-4-3-12(9-13(14)15)17-21(2,19)20/h3-5,9-10,16-17H,6-8H2,1-2H3
InChIKeyVBYOUUDUOYRCEM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.26
Rot. Bonds3

About N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide

N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide (PubChem CID 10425204) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide
PubChem CID10425204
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide
SMILESCN1CC=C(c2c[nH]c3ccc(NS(C)(=O)=O)cc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-18-7-5-11(6-8-18)14-10-16-15-4-3-12(9-13(14)15)17-21(2,19)20/h3-5,9-10,16-17H,6-8H2,1-2H3
InChIKeyVBYOUUDUOYRCEM-UHFFFAOYSA-N
XLogP2.26
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide (CID 10425204) is N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide is CN1CC=C(c2c[nH]c3ccc(NS(C)(=O)=O)cc23)CC1.
What is the InChIKey of N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide?
The InChIKey is VBYOUUDUOYRCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18-7-5-11(6-8-18)14-10-16-15-4-3-12(9-13(14)15)17-21(2,19)20/h3-5,9-10,16-17H,6-8H2,1-2H3.
What are the key properties of N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide?
N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 10425204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).