1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide

C13H18N2O2S2 — CID 113474823

IUPAC1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide
SMILESCCSCCn1c(C)c(S(N)(=O)=O)c2ccccc21
InChIInChI=1S/C13H18N2O2S2/c1-3-18-9-8-15-10(2)13(19(14,16)17)11-6-4-5-7-12(11)15/h4-7H,3,8-9H2,1-2H3,(H2,14,16,17)
InChIKeyDYJQKDXIGVDLNZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.35
Rot. Bonds5

About 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide

1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide (PubChem CID 113474823) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide
PubChem CID113474823
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC Name1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide
SMILESCCSCCn1c(C)c(S(N)(=O)=O)c2ccccc21
InChIInChI=1S/C13H18N2O2S2/c1-3-18-9-8-15-10(2)13(19(14,16)17)11-6-4-5-7-12(11)15/h4-7H,3,8-9H2,1-2H3,(H2,14,16,17)
InChIKeyDYJQKDXIGVDLNZ-UHFFFAOYSA-N
XLogP2.35
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoroethyl)-2-methylindole-3-sulfonamide
CID 82696370
2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
CID 82696049
2-methyl-1-(2-methylbutyl)indole-3-sulfonyl chloride
CID 82696122
1-(3-methoxy-3-methylbutyl)-2-methylindole-3-sulfonyl chloride
CID 103036318
2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide
CID 25042355
ethyl (2-methyl-1-propylindol-3-yl) carbonate
CID 91188926
2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
CID 116622472
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
1,2-dimethylindole-3-sulfonyl fluoride
CID 82287934
2-(3-bromo-2-methylindol-1-yl)ethanamine
CID 62830447
1-methylindole-3-sulfonamide
CID 18331867
2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate
CID 163696593

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide?
The IUPAC name of 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide (CID 113474823) is 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide is CCSCCn1c(C)c(S(N)(=O)=O)c2ccccc21.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide?
The InChIKey is DYJQKDXIGVDLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-3-18-9-8-15-10(2)13(19(14,16)17)11-6-4-5-7-12(11)15/h4-7H,3,8-9H2,1-2H3,(H2,14,16,17).
What are the key properties of 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide?
1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide has a molecular weight of 298.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-2-methylindole-3-sulfonamide is sourced from PubChem (CID 113474823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).