N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide

C16H24N2O3S — CID 97401195

IUPACN-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide
SMILESCCN1CC2(CCOCC2)c2cc(NS(=O)(=O)CC)ccc21
InChIInChI=1S/C16H24N2O3S/c1-3-18-12-16(7-9-21-10-8-16)14-11-13(5-6-15(14)18)17-22(19,20)4-2/h5-6,11,17H,3-4,7-10,12H2,1-2H3
InChIKeyZNDWWADBSHEDLV-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.34
Rot. Bonds4

About N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide

N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide (PubChem CID 97401195) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide
PubChem CID97401195
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide
SMILESCCN1CC2(CCOCC2)c2cc(NS(=O)(=O)CC)ccc21
InChIInChI=1S/C16H24N2O3S/c1-3-18-12-16(7-9-21-10-8-16)14-11-13(5-6-15(14)18)17-22(19,20)4-2/h5-6,11,17H,3-4,7-10,12H2,1-2H3
InChIKeyZNDWWADBSHEDLV-UHFFFAOYSA-N
XLogP2.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide?
The IUPAC name of N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide (CID 97401195) is N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide?
The canonical SMILES for N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide is CCN1CC2(CCOCC2)c2cc(NS(=O)(=O)CC)ccc21.
What is the InChIKey of N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide?
The InChIKey is ZNDWWADBSHEDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-18-12-16(7-9-21-10-8-16)14-11-13(5-6-15(14)18)17-22(19,20)4-2/h5-6,11,17H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide?
N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylspiro[2H-indole-3,4'-oxane]-5-yl)ethanesulfonamide is sourced from PubChem (CID 97401195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).