N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine

C11H18N2O2S — CID 83009821

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine
SMILESCSCc1ccc(CNN2CCOCC2)o1
InChIInChI=1S/C11H18N2O2S/c1-16-9-11-3-2-10(15-11)8-12-13-4-6-14-7-5-13/h2-3,12H,4-9H2,1H3
InChIKeyLSHCTMVMADFFAP-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.48
Rot. Bonds5

About N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine (PubChem CID 83009821) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine
PubChem CID83009821
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine
SMILESCSCc1ccc(CNN2CCOCC2)o1
InChIInChI=1S/C11H18N2O2S/c1-16-9-11-3-2-10(15-11)8-12-13-4-6-14-7-5-13/h2-3,12H,4-9H2,1H3
InChIKeyLSHCTMVMADFFAP-UHFFFAOYSA-N
XLogP1.48
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585147
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine
CID 79090711
[5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol
CID 83009491
[5-[(piperidin-1-ylamino)methyl]furan-2-yl]methanol
CID 83007473
N-[(4-iodophenyl)methyl]morpholin-4-amine
CID 83022461
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine
CID 83007735
5-(methylsulfanylmethyl)-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 90650804
2-(4-methylpiperidin-1-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 60957810
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 43771633
4-[(morpholin-4-ylamino)methyl]benzamide
CID 83012003

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine (CID 83009821) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine is CSCc1ccc(CNN2CCOCC2)o1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine?
The InChIKey is LSHCTMVMADFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-16-9-11-3-2-10(15-11)8-12-13-4-6-14-7-5-13/h2-3,12H,4-9H2,1H3.
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine has a molecular weight of 242.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine is sourced from PubChem (CID 83009821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).