2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine

C12H19NOS — CID 61222112

IUPAC2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
SMILESCSCc1ccc(CNC2CC2(C)C)o1
InChIInChI=1S/C12H19NOS/c1-12(2)6-11(12)13-7-9-4-5-10(14-9)8-15-3/h4-5,11,13H,6-8H2,1-3H3
InChIKeyWAUPFTUCPAPEHH-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.03
Rot. Bonds5

About 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine

2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine (PubChem CID 61222112) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
PubChem CID61222112
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
SMILESCSCc1ccc(CNC2CC2(C)C)o1
InChIInChI=1S/C12H19NOS/c1-12(2)6-11(12)13-7-9-4-5-10(14-9)8-15-3/h4-5,11,13H,6-8H2,1-3H3
InChIKeyWAUPFTUCPAPEHH-UHFFFAOYSA-N
XLogP3.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine (CID 61222112) is 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine is CSCc1ccc(CNC2CC2(C)C)o1.
What is the InChIKey of 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine?
The InChIKey is WAUPFTUCPAPEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(2)6-11(12)13-7-9-4-5-10(14-9)8-15-3/h4-5,11,13H,6-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine?
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 61222112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).