1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine

C11H17NOS — CID 105146736

IUPAC1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
SMILESCNC(c1ccoc1)C1(C)CCCS1
InChIInChI=1S/C11H17NOS/c1-11(5-3-7-14-11)10(12-2)9-4-6-13-8-9/h4,6,8,10,12H,3,5,7H2,1-2H3
InChIKeyAZVJAIJAVSJUHH-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.83
Rot. Bonds3

About 1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine

1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine (PubChem CID 105146736) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
PubChem CID105146736
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
SMILESCNC(c1ccoc1)C1(C)CCCS1
InChIInChI=1S/C11H17NOS/c1-11(5-3-7-14-11)10(12-2)9-4-6-13-8-9/h4,6,8,10,12H,3,5,7H2,1-2H3
InChIKeyAZVJAIJAVSJUHH-UHFFFAOYSA-N
XLogP2.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105142071
N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine
CID 105104615
1-(furan-3-yl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79060580
1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725439
[furan-3-yl-(1-methylcyclopentyl)methyl]hydrazine
CID 105305821
[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105307514
[(2-methylthiolan-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105312067
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105187005
[(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105300299
1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304222
N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105148565
N-[(4-ethoxyphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105140867

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine (CID 105146736) is 1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine is CNC(c1ccoc1)C1(C)CCCS1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
The InChIKey is AZVJAIJAVSJUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(5-3-7-14-11)10(12-2)9-4-6-13-8-9/h4,6,8,10,12H,3,5,7H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.83, 3 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-methyl-1-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 105146736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).