N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

C12H17NOS — CID 61288732

IUPACN-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCS(=O)c2c(C)cccc21
InChIInChI=1S/C12H17NOS/c1-3-13-11-7-8-15(14)12-9(2)5-4-6-10(11)12/h4-6,11,13H,3,7-8H2,1-2H3
InChIKeyJCLMCSIGOLITLG-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.16
Rot. Bonds2

About N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61288732) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61288732
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCS(=O)c2c(C)cccc21
InChIInChI=1S/C12H17NOS/c1-3-13-11-7-8-15(14)12-9(2)5-4-6-10(11)12/h4-6,11,13H,3,7-8H2,1-2H3
InChIKeyJCLMCSIGOLITLG-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (CID 61288732) is N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is CCNC1CCS(=O)c2c(C)cccc21.
What is the InChIKey of N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is JCLMCSIGOLITLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-13-11-7-8-15(14)12-9(2)5-4-6-10(11)12/h4-6,11,13H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 223.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61288732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).