N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine

C11H17NOS — CID 43206051

IUPACN-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCC1CCOC1)c1cccs1
InChIInChI=1S/C11H17NOS/c1-9(11-3-2-6-14-11)12-7-10-4-5-13-8-10/h2-3,6,9-10,12H,4-5,7-8H2,1H3
InChIKeyGXAXWCIQRCGELA-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.44
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine

N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 43206051) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID43206051
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCC1CCOC1)c1cccs1
InChIInChI=1S/C11H17NOS/c1-9(11-3-2-6-14-11)12-7-10-4-5-13-8-10/h2-3,6,9-10,12H,4-5,7-8H2,1H3
InChIKeyGXAXWCIQRCGELA-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine (CID 43206051) is N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine is CC(NCC1CCOC1)c1cccs1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is GXAXWCIQRCGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(11-3-2-6-14-11)12-7-10-4-5-13-8-10/h2-3,6,9-10,12H,4-5,7-8H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine?
N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43206051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).