(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C14H21NO2S — CID 104944582

IUPAC(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCSCCC1C[C@H](N)c2ccc(OC)cc2O1
InChIInChI=1S/C14H21NO2S/c1-3-18-7-6-11-8-13(15)12-5-4-10(16-2)9-14(12)17-11/h4-5,9,11,13H,3,6-8,15H2,1-2H3/t11?,13-/m0/s1
InChIKeyOFULWGQZQCISBH-YUZLPWPTSA-N
MW267.39 g/mol
LogP2.99
Rot. Bonds5

About (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944582) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944582
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCSCCC1C[C@H](N)c2ccc(OC)cc2O1
InChIInChI=1S/C14H21NO2S/c1-3-18-7-6-11-8-13(15)12-5-4-10(16-2)9-14(12)17-11/h4-5,9,11,13H,3,6-8,15H2,1-2H3/t11?,13-/m0/s1
InChIKeyOFULWGQZQCISBH-YUZLPWPTSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-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

2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714249
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708832
(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944916
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961
(2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride
CID 140767062
7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol
CID 114714331
(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947818
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104944582) is (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is CCSCCC1C[C@H](N)c2ccc(OC)cc2O1.
What is the InChIKey of (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OFULWGQZQCISBH-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-18-7-6-11-8-13(15)12-5-4-10(16-2)9-14(12)17-11/h4-5,9,11,13H,3,6-8,15H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 267.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).