1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine

C11H17NOS — CID 65104547

IUPAC1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCc1cc(C(N)CC2CCCO2)cs1
InChIInChI=1S/C11H17NOS/c1-8-5-9(7-14-8)11(12)6-10-3-2-4-13-10/h5,7,10-11H,2-4,6,12H2,1H3
InChIKeyHXYPVQNTKHOZFO-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.63
Rot. Bonds3

About 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine

1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 65104547) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID65104547
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCc1cc(C(N)CC2CCCO2)cs1
InChIInChI=1S/C11H17NOS/c1-8-5-9(7-14-8)11(12)6-10-3-2-4-13-10/h5,7,10-11H,2-4,6,12H2,1H3
InChIKeyHXYPVQNTKHOZFO-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(5-methylthiophen-3-yl)ethanamine
CID 55294440
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104991220
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
3-cyclopentyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 104991519
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine
CID 107288743

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine (CID 65104547) is 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine is Cc1cc(C(N)CC2CCCO2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is HXYPVQNTKHOZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-5-9(7-14-8)11(12)6-10-3-2-4-13-10/h5,7,10-11H,2-4,6,12H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine?
1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65104547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).