4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine

C11H18N2OS — CID 66235309

IUPAC4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
SMILESCc1ccc(CNCC2COCC2N)s1
InChIInChI=1S/C11H18N2OS/c1-8-2-3-10(15-8)5-13-4-9-6-14-7-11(9)12/h2-3,9,11,13H,4-7,12H2,1H3
InChIKeyUNVWLELYFGGAQN-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.12
Rot. Bonds4

About 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine

4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine (PubChem CID 66235309) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
PubChem CID66235309
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
SMILESCc1ccc(CNCC2COCC2N)s1
InChIInChI=1S/C11H18N2OS/c1-8-2-3-10(15-8)5-13-4-9-6-14-7-11(9)12/h2-3,9,11,13H,4-7,12H2,1H3
InChIKeyUNVWLELYFGGAQN-UHFFFAOYSA-N
XLogP1.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine (CID 66235309) is 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine is Cc1ccc(CNCC2COCC2N)s1.
What is the InChIKey of 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
The InChIKey is UNVWLELYFGGAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-2-3-10(15-8)5-13-4-9-6-14-7-11(9)12/h2-3,9,11,13H,4-7,12H2,1H3.
What are the key properties of 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine has a molecular weight of 226.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 66235309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).