3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole

C11H15NS — CID 83915674

IUPAC3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole
SMILESCCC1CNc2cccc(SC)c21
InChIInChI=1S/C11H15NS/c1-3-8-7-12-9-5-4-6-10(13-2)11(8)9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyFRGSGKXWAJBGDM-UHFFFAOYSA-N
MW193.32 g/mol
LogP3.33
Rot. Bonds2

About 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole

3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole (PubChem CID 83915674) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole
PubChem CID83915674
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole
SMILESCCC1CNc2cccc(SC)c21
InChIInChI=1S/C11H15NS/c1-3-8-7-12-9-5-4-6-10(13-2)11(8)9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyFRGSGKXWAJBGDM-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
1-(4-fluoro-2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117199925
1-(4-methoxy-2,3-dihydro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117200409
(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole
CID 130614963
O-[(4-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
CID 117199931
N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine
CID 80567020
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
2-methyl-3-(4-methyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 117199572
3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104033
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
CID 117199967
3-(4-bromo-2,3-dihydro-1H-indol-3-yl)-2-methylpropanoic acid
CID 117200016

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole?
The IUPAC name of 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole (CID 83915674) is 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole is CCC1CNc2cccc(SC)c21.
What is the InChIKey of 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole?
The InChIKey is FRGSGKXWAJBGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-8-7-12-9-5-4-6-10(13-2)11(8)9/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole?
3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole has a molecular weight of 193.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 83915674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).