[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine

C10H14ClNOS — CID 79427333

IUPAC[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine
SMILESNCC1CCCOC1c1cc(Cl)cs1
InChIInChI=1S/C10H14ClNOS/c11-8-4-9(14-6-8)10-7(5-12)2-1-3-13-10/h4,6-7,10H,1-3,5,12H2
InChIKeyYRAPWJMNYMMTOS-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.83
Rot. Bonds2

About [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine

[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine (PubChem CID 79427333) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine
PubChem CID79427333
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine
SMILESNCC1CCCOC1c1cc(Cl)cs1
InChIInChI=1S/C10H14ClNOS/c11-8-4-9(14-6-8)10-7(5-12)2-1-3-13-10/h4,6-7,10H,1-3,5,12H2
InChIKeyYRAPWJMNYMMTOS-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine?
The IUPAC name of [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine (CID 79427333) is [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine.
What is the SMILES notation for [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine?
The canonical SMILES for [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine is NCC1CCCOC1c1cc(Cl)cs1.
What is the InChIKey of [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine?
The InChIKey is YRAPWJMNYMMTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-8-4-9(14-6-8)10-7(5-12)2-1-3-13-10/h4,6-7,10H,1-3,5,12H2.
What are the key properties of [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine?
[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine has a molecular weight of 231.75 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 79427333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).