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

C11H17NOS — CID 114825004

IUPACN-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)C1COC(C)C1
InChIInChI=1S/C11H17NOS/c1-8-6-9(7-13-8)11(12-2)10-4-3-5-14-10/h3-5,8-9,11-12H,6-7H2,1-2H3
InChIKeyQBXSERCRWSPBAP-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.43
Rot. Bonds3

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

N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine (PubChem CID 114825004) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
PubChem CID114825004
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)C1COC(C)C1
InChIInChI=1S/C11H17NOS/c1-8-6-9(7-13-8)11(12-2)10-4-3-5-14-10/h3-5,8-9,11-12H,6-7H2,1-2H3
InChIKeyQBXSERCRWSPBAP-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 102828280
N-methyl-1-(2-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 79758920
N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 114825011
1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114824998
1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 105053875
N-[(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825345
N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine
CID 105052716
1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483460
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825347
[(3,4-dimethylcyclohexyl)-thiophen-2-ylmethyl]hydrazine
CID 105193681
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
[(5-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320635

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine (CID 114825004) is N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine is CNC(c1cccs1)C1COC(C)C1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine?
The InChIKey is QBXSERCRWSPBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-6-9(7-13-8)11(12-2)10-4-3-5-14-10/h3-5,8-9,11-12H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine?
N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.43, 3 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-3-yl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 114825004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).