N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine

C12H19NOS — CID 115845115

IUPACN-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)C1CCC(C)O1
InChIInChI=1S/C12H19NOS/c1-9-3-4-12(14-9)11(13-2)7-10-5-6-15-8-10/h5-6,8-9,11-13H,3-4,7H2,1-2H3
InChIKeyUWTUFWAYSICMAX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.45
Rot. Bonds4

About N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine

N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine (PubChem CID 115845115) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine
PubChem CID115845115
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)C1CCC(C)O1
InChIInChI=1S/C12H19NOS/c1-9-3-4-12(14-9)11(13-2)7-10-5-6-15-8-10/h5-6,8-9,11-13H,3-4,7H2,1-2H3
InChIKeyUWTUFWAYSICMAX-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115843383
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine
CID 65423218
N-methyl-1-(3-methylcyclopentyl)-2-thiophen-3-ylethanamine
CID 65413967
2-(3-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115795534
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988409
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151151
N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105151192
4-cyclohexyl-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61077655

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine (CID 115845115) is N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)C1CCC(C)O1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine?
The InChIKey is UWTUFWAYSICMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-3-4-12(14-9)11(13-2)7-10-5-6-15-8-10/h5-6,8-9,11-13H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine?
N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 115845115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).