N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine

C12H20N2OS — CID 62422601

IUPACN-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine
SMILESCNCc1occc1CN(C)C1CCSC1
InChIInChI=1S/C12H20N2OS/c1-13-7-12-10(3-5-15-12)8-14(2)11-4-6-16-9-11/h3,5,11,13H,4,6-9H2,1-2H3
InChIKeyGHMZPFGRJKTLEZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine

N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine (PubChem CID 62422601) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine
PubChem CID62422601
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine
SMILESCNCc1occc1CN(C)C1CCSC1
InChIInChI=1S/C12H20N2OS/c1-13-7-12-10(3-5-15-12)8-14(2)11-4-6-16-9-11/h3,5,11,13H,4,6-9H2,1-2H3
InChIKeyGHMZPFGRJKTLEZ-UHFFFAOYSA-N
XLogP1.94
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine
CID 62421861
N,2-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]cyclohexan-1-amine
CID 62461344
N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine
CID 55074646
N-ethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425577
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-methylcyclopentanamine
CID 55074631
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 55074886
N-methyl-N-[[2-[(2-methylpropylamino)methyl]furan-3-yl]methyl]cyclopentanamine
CID 62419680
2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine
CID 62428704
N-[4-bromo-2-(methylaminomethyl)phenyl]-N-methylthiolan-3-amine
CID 114061750
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methyloxolan-3-amine
CID 82754170
1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
CID 62436022

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine?
The IUPAC name of N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine (CID 62422601) is N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine is CNCc1occc1CN(C)C1CCSC1.
What is the InChIKey of N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine?
The InChIKey is GHMZPFGRJKTLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-13-7-12-10(3-5-15-12)8-14(2)11-4-6-16-9-11/h3,5,11,13H,4,6-9H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine?
N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine has a molecular weight of 240.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 62422601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).