ethane;3-ethyl-5-methylsulfanyl-1H-indole

C15H25NS — CID 142069450

IUPACethane;3-ethyl-5-methylsulfanyl-1H-indole
SMILESCC.CC.CCc1c[nH]c2ccc(SC)cc12
InChIInChI=1S/C11H13NS.2C2H6/c1-3-8-7-12-11-5-4-9(13-2)6-10(8)11;2*1-2/h4-7,12H,3H2,1-2H3;2*1-2H3
InChIKeyLPVSPGUMOXTBMS-UHFFFAOYSA-N
MW251.44 g/mol
LogP5.50
Rot. Bonds2

About ethane;3-ethyl-5-methylsulfanyl-1H-indole

ethane;3-ethyl-5-methylsulfanyl-1H-indole (PubChem CID 142069450) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is ethane;3-ethyl-5-methylsulfanyl-1H-indole.

Molecular Properties

Compound Nameethane;3-ethyl-5-methylsulfanyl-1H-indole
PubChem CID142069450
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Nameethane;3-ethyl-5-methylsulfanyl-1H-indole
SMILESCC.CC.CCc1c[nH]c2ccc(SC)cc12
InChIInChI=1S/C11H13NS.2C2H6/c1-3-8-7-12-11-5-4-9(13-2)6-10(8)11;2*1-2/h4-7,12H,3H2,1-2H3;2*1-2H3
InChIKeyLPVSPGUMOXTBMS-UHFFFAOYSA-N
XLogP5.50
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.44
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;3-ethyl-5-methylsulfanyl-1H-indole 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

2-amino-3-(5-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 86104362
4-[(5-methylsulfanyl-1H-indol-3-yl)methyl]benzohydrazide
CID 157140650
3,3,3-trifluoro-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 172624961
2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine
CID 172624964
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
methyl 5-methylsulfanyl-1H-indole-3-carboxylate
CID 89470406
ethyl 2-(5-methylsulfanyl-1H-indol-3-yl)butanoate
CID 102584292
3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole
CID 176862227
3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57263001
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
3-ethyl-1H-indole;methanamine
CID 142222050
5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-methylsulfanyl-1H-indole?
The IUPAC name of ethane;3-ethyl-5-methylsulfanyl-1H-indole (CID 142069450) is ethane;3-ethyl-5-methylsulfanyl-1H-indole.
What is the SMILES notation for ethane;3-ethyl-5-methylsulfanyl-1H-indole?
The canonical SMILES for ethane;3-ethyl-5-methylsulfanyl-1H-indole is CC.CC.CCc1c[nH]c2ccc(SC)cc12.
What is the InChIKey of ethane;3-ethyl-5-methylsulfanyl-1H-indole?
The InChIKey is LPVSPGUMOXTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS.2C2H6/c1-3-8-7-12-11-5-4-9(13-2)6-10(8)11;2*1-2/h4-7,12H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-5-methylsulfanyl-1H-indole?
ethane;3-ethyl-5-methylsulfanyl-1H-indole has a molecular weight of 251.44 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-methylsulfanyl-1H-indole is sourced from PubChem (CID 142069450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).