3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine

C11H17NOS — CID 115768600

IUPAC3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine
SMILESCc1ccc(CNC2(C)CCOC2)s1
InChIInChI=1S/C11H17NOS/c1-9-3-4-10(14-9)7-12-11(2)5-6-13-8-11/h3-4,12H,5-8H2,1-2H3
InChIKeyOLFYJFJQEHJING-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.33
Rot. Bonds3

About 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine

3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine (PubChem CID 115768600) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine
PubChem CID115768600
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine
SMILESCc1ccc(CNC2(C)CCOC2)s1
InChIInChI=1S/C11H17NOS/c1-9-3-4-10(14-9)7-12-11(2)5-6-13-8-11/h3-4,12H,5-8H2,1-2H3
InChIKeyOLFYJFJQEHJING-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine?
The IUPAC name of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine (CID 115768600) is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine is Cc1ccc(CNC2(C)CCOC2)s1.
What is the InChIKey of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine?
The InChIKey is OLFYJFJQEHJING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-3-4-10(14-9)7-12-11(2)5-6-13-8-11/h3-4,12H,5-8H2,1-2H3.
What are the key properties of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine?
3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 115768600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).