ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane

C13H18F5NS — CID 144820379

IUPACethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane
SMILESCC.CCc1cn(C)c2ccc(S(F)(F)(F)(F)F)cc12
InChIInChI=1S/C11H12F5NS.C2H6/c1-3-8-7-17(2)11-5-4-9(6-10(8)11)18(12,13,14,15)16;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyMGHBMTSMVJKPFG-UHFFFAOYSA-N
MW315.35 g/mol
LogP6.42
Rot. Bonds2

About ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane

ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane (PubChem CID 144820379) has the molecular formula C13H18F5NS and a molecular weight of 315.35 g/mol. Its IUPAC name is ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Nameethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane
PubChem CID144820379
Molecular FormulaC13H18F5NS
Molecular Weight315.35 g/mol
Exact Mass315.11
IUPAC Nameethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane
SMILESCC.CCc1cn(C)c2ccc(S(F)(F)(F)(F)F)cc12
InChIInChI=1S/C11H12F5NS.C2H6/c1-3-8-7-17(2)11-5-4-9(6-10(8)11)18(12,13,14,15)16;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyMGHBMTSMVJKPFG-UHFFFAOYSA-N
XLogP6.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.35
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
6-bromo-3-ethyl-1-methylindole
CID 115042453
3-ethyl-4,5-difluoro-1-methylindole
CID 126610746
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one
CID 84635769
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000
ethyl 2-(1,5-dimethylindol-3-yl)acetate
CID 84740898
ethane;3-fluoro-1,5-dimethylindole;propane
CID 176703204
3-[(2-ethylphenyl)methyl]-1-methylindole
CID 162400454
5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
1-(5-ethoxy-1-methylindol-3-yl)propan-2-one
CID 82495412

Frequently Asked Questions

What is the IUPAC name of ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane?
The IUPAC name of ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane (CID 144820379) is ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane.
What is the SMILES notation for ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane?
The canonical SMILES for ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane is CC.CCc1cn(C)c2ccc(S(F)(F)(F)(F)F)cc12.
What is the InChIKey of ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane?
The InChIKey is MGHBMTSMVJKPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NS.C2H6/c1-3-8-7-17(2)11-5-4-9(6-10(8)11)18(12,13,14,15)16;1-2/h4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane?
ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane has a molecular weight of 315.35 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane is sourced from PubChem (CID 144820379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).