3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine

C12H19NOS — CID 103743184

IUPAC3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
SMILESCOC1CC(NCc2ccsc2)C1(C)C
InChIInChI=1S/C12H19NOS/c1-12(2)10(6-11(12)14-3)13-7-9-4-5-15-8-9/h4-5,8,10-11,13H,6-7H2,1-3H3
InChIKeyLBVAEZUUQRRHAH-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.65
Rot. Bonds4

About 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine

3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine (PubChem CID 103743184) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
PubChem CID103743184
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
SMILESCOC1CC(NCc2ccsc2)C1(C)C
InChIInChI=1S/C12H19NOS/c1-12(2)10(6-11(12)14-3)13-7-9-4-5-15-8-9/h4-5,8,10-11,13H,6-7H2,1-3H3
InChIKeyLBVAEZUUQRRHAH-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine (CID 103743184) is 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine is COC1CC(NCc2ccsc2)C1(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is LBVAEZUUQRRHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(2)10(6-11(12)14-3)13-7-9-4-5-15-8-9/h4-5,8,10-11,13H,6-7H2,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 103743184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).