[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine

C11H18N2OS — CID 62419449

IUPAC[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1CN1CCSCC1
InChIInChI=1S/C11H18N2OS/c1-9-10(6-11(7-12)14-9)8-13-2-4-15-5-3-13/h6H,2-5,7-8,12H2,1H3
InChIKeyAWQDVKBICKOBSM-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.60
Rot. Bonds3

About [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine

[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine (PubChem CID 62419449) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
PubChem CID62419449
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
SMILESCc1oc(CN)cc1CN1CCSCC1
InChIInChI=1S/C11H18N2OS/c1-9-10(6-11(7-12)14-9)8-13-2-4-15-5-3-13/h6H,2-5,7-8,12H2,1H3
InChIKeyAWQDVKBICKOBSM-UHFFFAOYSA-N
XLogP1.60
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
4-[[5-Methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 2738457
2,6-dimethyl-5,7-dihydro-4H-furo[2,3-c]pyridine
CID 14423149
2-(benzylthio)-N-((1-((2,5-dimethylfuran-3-yl)methyl)piperidin-4-yl)methyl)acetamide
CID 49687128
({1-[(2,5-Dimethyl-3-furyl)methyl]piperidin-4-yl}methyl)amine
CID 71778080
1-[[5-Methyl-2-(trifluoromethyl)furan-3-yl]methylamino]ethanethiol
CID 142256495
4-[[5-Methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinan-4-ium 1,1-dioxide
CID 6927942
1-(4-fluorophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
CID 43763286
1-(2-fluorophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
CID 43763722
1-(3-fluorophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
CID 43773063
[3-[[(4-Fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine
CID 55069613
[4-[[(4-Fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine
CID 55069614

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine (CID 62419449) is [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine is Cc1oc(CN)cc1CN1CCSCC1.
What is the InChIKey of [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
The InChIKey is AWQDVKBICKOBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-10(6-11(7-12)14-9)8-13-2-4-15-5-3-13/h6H,2-5,7-8,12H2,1H3.
What are the key properties of [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine?
[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine has a molecular weight of 226.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62419449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).