3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine

C11H15NS — CID 105356578

IUPAC3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCC1SCc2ccccc2C1N
InChIInChI=1S/C11H15NS/c1-2-10-11(12)9-6-4-3-5-8(9)7-13-10/h3-6,10-11H,2,7,12H2,1H3
InChIKeyJYRIKARJOARDOW-UHFFFAOYSA-N
MW193.32 g/mol
LogP2.71
Rot. Bonds1

About 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine

3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 105356578) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID105356578
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCC1SCc2ccccc2C1N
InChIInChI=1S/C11H15NS/c1-2-10-11(12)9-6-4-3-5-8(9)7-13-10/h3-6,10-11H,2,7,12H2,1H3
InChIKeyJYRIKARJOARDOW-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-3,4-dihydro-1H-isothiochromene
CID 71336511
6-bromo-3-ethyl-8-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356577
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 105356533
3-methyl-N-propyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82888965
(3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134221167
6-ethylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64614223
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845
2-chloro-2,3-dihydro-1H-inden-1-amine
CID 2794190

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine (CID 105356578) is 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine is CCC1SCc2ccccc2C1N.
What is the InChIKey of 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is JYRIKARJOARDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-10-11(12)9-6-4-3-5-8(9)7-13-10/h3-6,10-11H,2,7,12H2,1H3.
What are the key properties of 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine?
3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 193.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 105356578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).