N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine

C9H15NO2S2 — CID 115702493

IUPACN-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine
SMILESCOc1ccc(CNCCS(C)=O)s1
InChIInChI=1S/C9H15NO2S2/c1-12-9-4-3-8(13-9)7-10-5-6-14(2)11/h3-4,10H,5-7H2,1-2H3
InChIKeyGXWWADSTXULPJP-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.22
Rot. Bonds6

About N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine

N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine (PubChem CID 115702493) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine
PubChem CID115702493
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC NameN-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine
SMILESCOc1ccc(CNCCS(C)=O)s1
InChIInChI=1S/C9H15NO2S2/c1-12-9-4-3-8(13-9)7-10-5-6-14(2)11/h3-4,10H,5-7H2,1-2H3
InChIKeyGXWWADSTXULPJP-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764056
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115742089
N-[(5-methoxythiophen-2-yl)methyl]hexan-1-amine
CID 115702222
N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 115702501
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
CID 115702786
2-[(5-methoxythiophen-2-yl)methylamino]-N,N-dimethylacetamide
CID 115702261
3-[2-[(5-methoxythiophen-2-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 115702440
2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol
CID 103992523
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 102837533
N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115702299
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632611

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine?
The IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine (CID 115702493) is N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine.
What is the SMILES notation for N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine?
The canonical SMILES for N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine is COc1ccc(CNCCS(C)=O)s1.
What is the InChIKey of N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine?
The InChIKey is GXWWADSTXULPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-12-9-4-3-8(13-9)7-10-5-6-14(2)11/h3-4,10H,5-7H2,1-2H3.
What are the key properties of N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine?
N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine is sourced from PubChem (CID 115702493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).