N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide

C17H24N2O3S — CID 71918656

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
SMILESCc1[nH]c2ccccc2c1CCNS(=O)(=O)CCC1CCCO1
InChIInChI=1S/C17H24N2O3S/c1-13-15(16-6-2-3-7-17(16)19-13)8-10-18-23(20,21)12-9-14-5-4-11-22-14/h2-3,6-7,14,18-19H,4-5,8-12H2,1H3
InChIKeyPVQRARIWVSLIAT-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide (PubChem CID 71918656) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
PubChem CID71918656
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
SMILESCc1[nH]c2ccccc2c1CCNS(=O)(=O)CCC1CCCO1
InChIInChI=1S/C17H24N2O3S/c1-13-15(16-6-2-3-7-17(16)19-13)8-10-18-23(20,21)12-9-14-5-4-11-22-14/h2-3,6-7,14,18-19H,4-5,8-12H2,1H3
InChIKeyPVQRARIWVSLIAT-UHFFFAOYSA-N
XLogP2.51
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide (CID 71918656) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide is Cc1[nH]c2ccccc2c1CCNS(=O)(=O)CCC1CCCO1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide?
The InChIKey is PVQRARIWVSLIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-15(16-6-2-3-7-17(16)19-13)8-10-18-23(20,21)12-9-14-5-4-11-22-14/h2-3,6-7,14,18-19H,4-5,8-12H2,1H3.
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 71918656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).