N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine

C13H22N2OS — CID 55074646

IUPACN-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine
SMILESCNCc1cc(CN(C)C2CCSC2)oc1C
InChIInChI=1S/C13H22N2OS/c1-10-11(7-14-2)6-13(16-10)8-15(3)12-4-5-17-9-12/h6,12,14H,4-5,7-9H2,1-3H3
InChIKeyQRMSJOWBUPQUCW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.24
Rot. Bonds5

About N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine

N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine (PubChem CID 55074646) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine
PubChem CID55074646
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine
SMILESCNCc1cc(CN(C)C2CCSC2)oc1C
InChIInChI=1S/C13H22N2OS/c1-10-11(7-14-2)6-13(16-10)8-15(3)12-4-5-17-9-12/h6,12,14H,4-5,7-9H2,1-3H3
InChIKeyQRMSJOWBUPQUCW-UHFFFAOYSA-N
XLogP2.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.24
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
2-methyl-5-[[methyl(thiolan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 43477431
N-ethyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62421832
N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine
CID 62422601
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine
CID 55074921
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine
CID 130863024

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine?
The IUPAC name of N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine (CID 55074646) is N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine is CNCc1cc(CN(C)C2CCSC2)oc1C.
What is the InChIKey of N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine?
The InChIKey is QRMSJOWBUPQUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-11(7-14-2)6-13(16-10)8-15(3)12-4-5-17-9-12/h6,12,14H,4-5,7-9H2,1-3H3.
What are the key properties of N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine?
N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine has a molecular weight of 254.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 55074646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).