N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C17H25NO2S — CID 64921552

IUPACN-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCC1CCC(NC2CCS(=O)(=O)c3ccccc32)C1C
InChIInChI=1S/C17H25NO2S/c1-3-13-8-9-15(12(13)2)18-16-10-11-21(19,20)17-7-5-4-6-14(16)17/h4-7,12-13,15-16,18H,3,8-11H2,1-2H3
InChIKeyUHADJCKTDLTKDL-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.32
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 64921552) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID64921552
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCC1CCC(NC2CCS(=O)(=O)c3ccccc32)C1C
InChIInChI=1S/C17H25NO2S/c1-3-13-8-9-15(12(13)2)18-16-10-11-21(19,20)17-7-5-4-6-14(16)17/h4-7,12-13,15-16,18H,3,8-11H2,1-2H3
InChIKeyUHADJCKTDLTKDL-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 64921552) is N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is CCC1CCC(NC2CCS(=O)(=O)c3ccccc32)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is UHADJCKTDLTKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-3-13-8-9-15(12(13)2)18-16-10-11-21(19,20)17-7-5-4-6-14(16)17/h4-7,12-13,15-16,18H,3,8-11H2,1-2H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 307.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 64921552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).