N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine

C13H22N2OS — CID 62421855

IUPACN-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
SMILESCCNCc1ccc(CN(C)C2CCSC2)o1
InChIInChI=1S/C13H22N2OS/c1-3-14-8-12-4-5-13(16-12)9-15(2)11-6-7-17-10-11/h4-5,11,14H,3,6-10H2,1-2H3
InChIKeyCXQKILPEYOBRLV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.33
Rot. Bonds6

About N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine

N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine (PubChem CID 62421855) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
PubChem CID62421855
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
SMILESCCNCc1ccc(CN(C)C2CCSC2)o1
InChIInChI=1S/C13H22N2OS/c1-3-14-8-12-4-5-13(16-12)9-15(2)11-6-7-17-10-11/h4-5,11,14H,3,6-10H2,1-2H3
InChIKeyCXQKILPEYOBRLV-UHFFFAOYSA-N
XLogP2.33
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol
CID 115880216
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine
CID 62434036
N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine
CID 130863024
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 55074886
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073598
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
CID 105346911
N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine
CID 55074646
2-methyl-5-[[methyl(thiolan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 43477431
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432459
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62418314

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine (CID 62421855) is N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine is CCNCc1ccc(CN(C)C2CCSC2)o1.
What is the InChIKey of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine?
The InChIKey is CXQKILPEYOBRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-14-8-12-4-5-13(16-12)9-15(2)11-6-7-17-10-11/h4-5,11,14H,3,6-10H2,1-2H3.
What are the key properties of N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine?
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine has a molecular weight of 254.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 62421855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).