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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromo-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61289511
N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288330
N-ethyl-5,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61287512
N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
CID 82234882
N-ethyl-6,9-difluoro-1-oxo-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61287924
6,9-dimethyl-1-oxo-N-propyl-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61289099
2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712172
5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105474285
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
6,8-difluoro-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61288331
7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 82238176
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418

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).