N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C16H23NO2S — CID 104924977

IUPACN-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCC1(CNC2CCS(=O)(=O)c3ccccc32)CCC1
InChIInChI=1S/C16H23NO2S/c1-2-16(9-5-10-16)12-17-14-8-11-20(18,19)15-7-4-3-6-13(14)15/h3-4,6-7,14,17H,2,5,8-12H2,1H3
InChIKeyONQONWNTXVZDOU-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.08
Rot. Bonds4

About N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 104924977) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID104924977
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCC1(CNC2CCS(=O)(=O)c3ccccc32)CCC1
InChIInChI=1S/C16H23NO2S/c1-2-16(9-5-10-16)12-17-14-8-11-20(18,19)15-7-4-3-6-13(14)15/h3-4,6-7,14,17H,2,5,8-12H2,1H3
InChIKeyONQONWNTXVZDOU-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 104924977) is N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is CCC1(CNC2CCS(=O)(=O)c3ccccc32)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ONQONWNTXVZDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-2-16(9-5-10-16)12-17-14-8-11-20(18,19)15-7-4-3-6-13(14)15/h3-4,6-7,14,17H,2,5,8-12H2,1H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 293.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 104924977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).