1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine

C12H19NOS — CID 80725439

IUPAC1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCCS1)c1ccoc1
InChIInChI=1S/C12H19NOS/c1-10(11-4-6-14-8-11)13-9-12(2)5-3-7-15-12/h4,6,8,10,13H,3,5,7,9H2,1-2H3
InChIKeyLPLUPSJCJREXET-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.22
Rot. Bonds4

About 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine

1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine (PubChem CID 80725439) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
PubChem CID80725439
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCCS1)c1ccoc1
InChIInChI=1S/C12H19NOS/c1-10(11-4-6-14-8-11)13-9-12(2)5-3-7-15-12/h4,6,8,10,13H,3,5,7,9H2,1-2H3
InChIKeyLPLUPSJCJREXET-UHFFFAOYSA-N
XLogP3.22
TPSA25.17 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
N,N-dimethyl-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]aniline
CID 80725736
N-[(2-methylthiolan-2-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 80726715
1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine
CID 115893822
N-methyl-4-[(1R)-1-[[(2R)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide
CID 97323690
N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide
CID 97323688
2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol
CID 80726953
1-(2-bromophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80527896
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 80726555
1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105146736
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 80722107
3-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 80722369

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The IUPAC name of 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine (CID 80725439) is 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine is CC(NCC1(C)CCCS1)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The InChIKey is LPLUPSJCJREXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(11-4-6-14-8-11)13-9-12(2)5-3-7-15-12/h4,6,8,10,13H,3,5,7,9H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80725439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).