[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine

C11H17NO2S — CID 107558808

IUPAC[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(COCC2CCOC2)s1
InChIInChI=1S/C11H17NO2S/c12-5-10-1-2-11(15-10)8-14-7-9-3-4-13-6-9/h1-2,9H,3-8,12H2
InChIKeyHVQOHKLWKFZGKX-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.76
Rot. Bonds5

About [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine

[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine (PubChem CID 107558808) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine
PubChem CID107558808
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(COCC2CCOC2)s1
InChIInChI=1S/C11H17NO2S/c12-5-10-1-2-11(15-10)8-14-7-9-3-4-13-6-9/h1-2,9H,3-8,12H2
InChIKeyHVQOHKLWKFZGKX-UHFFFAOYSA-N
XLogP1.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole
CID 80607681
3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 54977307
N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558843
2-bromo-5-(oxolan-3-ylmethoxymethyl)aniline
CID 115557537
[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine
CID 62382964
N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine
CID 62484188
2-(oxolan-3-ylmethoxymethyl)benzenecarbothioamide
CID 54977500
3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine
CID 62885453
[3-(oxan-4-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62485117
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 61235023
6-methyl-2-(oxolan-3-ylmethoxymethyl)pyrimidin-4-amine
CID 80655013

Frequently Asked Questions

What is the IUPAC name of [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine (CID 107558808) is [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine is NCc1ccc(COCC2CCOC2)s1.
What is the InChIKey of [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is HVQOHKLWKFZGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c12-5-10-1-2-11(15-10)8-14-7-9-3-4-13-6-9/h1-2,9H,3-8,12H2.
What are the key properties of [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine?
[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 227.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107558808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).