N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide

C15H22N2O3S — CID 62049751

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCCC1CNc2ccccc21)C1CCOCC1
InChIInChI=1S/C15H22N2O3S/c18-21(19,13-6-9-20-10-7-13)17-8-5-12-11-16-15-4-2-1-3-14(12)15/h1-4,12-13,16-17H,5-11H2
InChIKeyBULBYSLOVIANOF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.68
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide (PubChem CID 62049751) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide
PubChem CID62049751
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCCC1CNc2ccccc21)C1CCOCC1
InChIInChI=1S/C15H22N2O3S/c18-21(19,13-6-9-20-10-7-13)17-8-5-12-11-16-15-4-2-1-3-14(12)15/h1-4,12-13,16-17H,5-11H2
InChIKeyBULBYSLOVIANOF-UHFFFAOYSA-N
XLogP1.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide (CID 62049751) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide is O=S(=O)(NCCC1CNc2ccccc21)C1CCOCC1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide?
The InChIKey is BULBYSLOVIANOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-21(19,13-6-9-20-10-7-13)17-8-5-12-11-16-15-4-2-1-3-14(12)15/h1-4,12-13,16-17H,5-11H2.
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]oxane-4-sulfonamide is sourced from PubChem (CID 62049751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).