N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine

C10H17NOS2 — CID 115702501

IUPACN-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(CNCCCSC)s1
InChIInChI=1S/C10H17NOS2/c1-12-10-5-4-9(14-10)8-11-6-3-7-13-2/h4-5,11H,3,6-8H2,1-2H3
InChIKeyJQZZVWAZMBRTLG-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.60
Rot. Bonds7

About N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine

N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 115702501) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID115702501
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC NameN-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(CNCCCSC)s1
InChIInChI=1S/C10H17NOS2/c1-12-10-5-4-9(14-10)8-11-6-3-7-13-2/h4-5,11H,3,6-8H2,1-2H3
InChIKeyJQZZVWAZMBRTLG-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.60
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]hexan-1-amine
CID 115702222
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-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115702493
N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923022
2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
CID 115702786
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663613
N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 102835841
2-[(5-methoxythiophen-2-yl)methylamino]-N,N-dimethylacetamide
CID 115702261
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982283
methyl 2-[5-[(3-ethylsulfanylpropylamino)methyl]thiophen-2-yl]acetate
CID 114247942
N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115702299

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine (CID 115702501) is N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine is COc1ccc(CNCCCSC)s1.
What is the InChIKey of N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is JQZZVWAZMBRTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-12-10-5-4-9(14-10)8-11-6-3-7-13-2/h4-5,11H,3,6-8H2,1-2H3.
What are the key properties of N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine?
N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 231.39 g/mol, XLogP of 2.60, 7 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]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115702501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).