2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine

C9H15NOS2 — CID 100675553

IUPAC2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine
SMILESCOCCNCc1ccc(SC)s1
InChIInChI=1S/C9H15NOS2/c1-11-6-5-10-7-8-3-4-9(12-2)13-8/h3-4,10H,5-7H2,1-2H3
InChIKeyUUZITBHXSHDWAQ-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.21
Rot. Bonds6

About 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine

2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine (PubChem CID 100675553) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine
PubChem CID100675553
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine
SMILESCOCCNCc1ccc(SC)s1
InChIInChI=1S/C9H15NOS2/c1-11-6-5-10-7-8-3-4-9(12-2)13-8/h3-4,10H,5-7H2,1-2H3
InChIKeyUUZITBHXSHDWAQ-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine 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

N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 122165792
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N-(2-methoxyethyl)-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 113405500
2-(4-methylsulfanylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63648590
(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(5-methylsulfanylthiophen-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 100763551
2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62597904
methyl 2-[5-[(4-methoxybutylamino)methyl]thiophen-2-yl]acetate
CID 82894149
N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 115702501
5-[(2-methoxyethylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960372

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine (CID 100675553) is 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine is COCCNCc1ccc(SC)s1.
What is the InChIKey of 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine?
The InChIKey is UUZITBHXSHDWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-11-6-5-10-7-8-3-4-9(12-2)13-8/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine?
2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine has a molecular weight of 217.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methylsulfanylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 100675553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).