3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine

C9H12ClNOS — CID 130534382

IUPAC3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine
SMILESNC1CC(OCc2sccc2Cl)C1
InChIInChI=1S/C9H12ClNOS/c10-8-1-2-13-9(8)5-12-7-3-6(11)4-7/h1-2,6-7H,3-5,11H2
InChIKeyDWZKFDYXRPFBOC-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.41
Rot. Bonds3

About 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine

3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine (PubChem CID 130534382) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine
PubChem CID130534382
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine
SMILESNC1CC(OCc2sccc2Cl)C1
InChIInChI=1S/C9H12ClNOS/c10-8-1-2-13-9(8)5-12-7-3-6(11)4-7/h1-2,6-7H,3-5,11H2
InChIKeyDWZKFDYXRPFBOC-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine?
The IUPAC name of 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine (CID 130534382) is 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine is NC1CC(OCc2sccc2Cl)C1.
What is the InChIKey of 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine?
The InChIKey is DWZKFDYXRPFBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-8-1-2-13-9(8)5-12-7-3-6(11)4-7/h1-2,6-7H,3-5,11H2.
What are the key properties of 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine?
3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine has a molecular weight of 217.72 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine is sourced from PubChem (CID 130534382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).