N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine

C13H21NOS — CID 82725149

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine
SMILESCCc1ccc(C(C)NC2CCOC2C)s1
InChIInChI=1S/C13H21NOS/c1-4-11-5-6-13(16-11)9(2)14-12-7-8-15-10(12)3/h5-6,9-10,12,14H,4,7-8H2,1-3H3
InChIKeyYXZCIDLEFBMUTQ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine (PubChem CID 82725149) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine
PubChem CID82725149
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine
SMILESCCc1ccc(C(C)NC2CCOC2C)s1
InChIInChI=1S/C13H21NOS/c1-4-11-5-6-13(16-11)9(2)14-12-7-8-15-10(12)3/h5-6,9-10,12,14H,4,7-8H2,1-3H3
InChIKeyYXZCIDLEFBMUTQ-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine (CID 82725149) is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine is CCc1ccc(C(C)NC2CCOC2C)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine?
The InChIKey is YXZCIDLEFBMUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-11-5-6-13(16-11)9(2)14-12-7-8-15-10(12)3/h5-6,9-10,12,14H,4,7-8H2,1-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine has a molecular weight of 239.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 82725149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).