N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine

C12H19NOS — CID 65330421

IUPACN-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1CCOC1
InChIInChI=1S/C12H19NOS/c1-3-13-12(10-4-5-14-7-10)11-6-9(2)15-8-11/h6,8,10,12-13H,3-5,7H2,1-2H3
InChIKeyYZWVUMVKZUMEON-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.74
Rot. Bonds4

About N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine

N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 65330421) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID65330421
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1CCOC1
InChIInChI=1S/C12H19NOS/c1-3-13-12(10-4-5-14-7-10)11-6-9(2)15-8-11/h6,8,10,12-13H,3-5,7H2,1-2H3
InChIKeyYZWVUMVKZUMEON-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 114241957
N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097372
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105155633
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxolan-3-yl)methyl]ethanamine
CID 115856695
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine
CID 61331813
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine (CID 65330421) is N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1csc(C)c1)C1CCOC1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is YZWVUMVKZUMEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-13-12(10-4-5-14-7-10)11-6-9(2)15-8-11/h6,8,10,12-13H,3-5,7H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine?
N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65330421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).