N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine

C16H23NS2 — CID 103787304

IUPACN-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCSC1CCC(NC2CSCc3ccccc32)C1
InChIInChI=1S/C16H23NS2/c1-2-19-14-8-7-13(9-14)17-16-11-18-10-12-5-3-4-6-15(12)16/h3-6,13-14,16-17H,2,7-11H2,1H3
InChIKeyLYWHJNYZVPGZQZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.24
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine

N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 103787304) has the molecular formula C16H23NS2 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID103787304
Molecular FormulaC16H23NS2
Molecular Weight293.50 g/mol
Exact Mass293.13
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCSC1CCC(NC2CSCc3ccccc32)C1
InChIInChI=1S/C16H23NS2/c1-2-19-14-8-7-13(9-14)17-16-11-18-10-12-5-3-4-6-15(12)16/h3-6,13-14,16-17H,2,7-11H2,1H3
InChIKeyLYWHJNYZVPGZQZ-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115892439
N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
CID 103787277
N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine
CID 43778576
N-(2-ethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115718050
N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43784400
N-(3-ethylpentan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 63842626
1-benzyl-N-(3,4-dihydro-1H-isothiochromen-4-yl)piperidin-3-amine
CID 113239317
N-(4-ethylphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43764362
N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide
CID 43778008
N-(3,3-dimethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115712822
N-(2-butoxyethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 61170504
N'-cyclopropyl-N-(3,4-dihydro-1H-isothiochromen-4-yl)-N'-ethylethane-1,2-diamine
CID 103780499

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine (CID 103787304) is N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine is CCSC1CCC(NC2CSCc3ccccc32)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is LYWHJNYZVPGZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS2/c1-2-19-14-8-7-13(9-14)17-16-11-18-10-12-5-3-4-6-15(12)16/h3-6,13-14,16-17H,2,7-11H2,1H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine?
N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 293.50 g/mol, XLogP of 4.24, 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-1H-isothiochromen-4-amine is sourced from PubChem (CID 103787304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).