1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine

C15H23NS — CID 65128332

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
SMILESCCSCC(Cc1ccc2c(c1)CCC2)NC
InChIInChI=1S/C15H23NS/c1-3-17-11-15(16-2)10-12-7-8-13-5-4-6-14(13)9-12/h7-9,15-16H,3-6,10-11H2,1-2H3
InChIKeyZNPQBVBVJQBNLC-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.06
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine (PubChem CID 65128332) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
PubChem CID65128332
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
SMILESCCSCC(Cc1ccc2c(c1)CCC2)NC
InChIInChI=1S/C15H23NS/c1-3-17-11-15(16-2)10-12-7-8-13-5-4-6-14(13)9-12/h7-9,15-16H,3-6,10-11H2,1-2H3
InChIKeyZNPQBVBVJQBNLC-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225261
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
[1-(2,3-dihydro-1H-inden-5-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225635
1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 65128454
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
1-ethylsulfanyl-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65127657
3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115865082
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807080
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64648658
[1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105310766
[1-(2,3-dihydro-1H-inden-5-yl)-5-methylhexan-2-yl]hydrazine
CID 105207475

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine (CID 65128332) is 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine is CCSCC(Cc1ccc2c(c1)CCC2)NC.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine?
The InChIKey is ZNPQBVBVJQBNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-17-11-15(16-2)10-12-7-8-13-5-4-6-14(13)9-12/h7-9,15-16H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 65128332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).