N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine

C16H23NOS — CID 103787277

IUPACN-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCSC1CCC(NC2CCOc3ccccc32)C1
InChIInChI=1S/C16H23NOS/c1-2-19-13-8-7-12(11-13)17-15-9-10-18-16-6-4-3-5-14(15)16/h3-6,12-13,15,17H,2,7-11H2,1H3
InChIKeyCVYURXFOKKGWCW-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.77
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine

N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103787277) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103787277
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCSC1CCC(NC2CCOc3ccccc32)C1
InChIInChI=1S/C16H23NOS/c1-2-19-13-8-7-12(11-13)17-15-9-10-18-16-6-4-3-5-14(15)16/h3-6,12-13,15,17H,2,7-11H2,1H3
InChIKeyCVYURXFOKKGWCW-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 103787304
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
N-(3,4-dihydro-2H-chromen-4-yl)-1-ethylpiperidin-3-amine
CID 61170368
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
(1S,5R)-8-benzyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 99777300
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795
N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79101117

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine (CID 103787277) is N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine is CCSC1CCC(NC2CCOc3ccccc32)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CVYURXFOKKGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-19-13-8-7-12(11-13)17-15-9-10-18-16-6-4-3-5-14(15)16/h3-6,12-13,15,17H,2,7-11H2,1H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine?
N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 277.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103787277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).