4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine

C10H14ClNOS — CID 130534472

IUPAC4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine
SMILESNC1(Cc2sccc2Cl)CCOCC1
InChIInChI=1S/C10H14ClNOS/c11-8-1-6-14-9(8)7-10(12)2-4-13-5-3-10/h1,6H,2-5,7,12H2
InChIKeyOYFQPAZPCAODJE-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.45
Rot. Bonds2

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

4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine (PubChem CID 130534472) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine
PubChem CID130534472
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine
SMILESNC1(Cc2sccc2Cl)CCOCC1
InChIInChI=1S/C10H14ClNOS/c11-8-1-6-14-9(8)7-10(12)2-4-13-5-3-10/h1,6H,2-5,7,12H2
InChIKeyOYFQPAZPCAODJE-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine?
The IUPAC name of 4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine (CID 130534472) is 4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine is NC1(Cc2sccc2Cl)CCOCC1.
What is the InChIKey of 4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine?
The InChIKey is OYFQPAZPCAODJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-8-1-6-14-9(8)7-10(12)2-4-13-5-3-10/h1,6H,2-5,7,12H2.
What are the key properties of 4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine?
4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine has a molecular weight of 231.75 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 130534472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).