2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol

C11H19NO3S — CID 66169654

IUPAC2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
SMILESCSCc1ccc(CNCC(C)(O)CO)o1
InChIInChI=1S/C11H19NO3S/c1-11(14,8-13)7-12-5-9-3-4-10(15-9)6-16-2/h3-4,12-14H,5-8H2,1-2H3
InChIKeyZSQRHLAPYBIVBV-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.98
Rot. Bonds7

About 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol

2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol (PubChem CID 66169654) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
PubChem CID66169654
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
SMILESCSCc1ccc(CNCC(C)(O)CO)o1
InChIInChI=1S/C11H19NO3S/c1-11(14,8-13)7-12-5-9-3-4-10(15-9)6-16-2/h3-4,12-14H,5-8H2,1-2H3
InChIKeyZSQRHLAPYBIVBV-UHFFFAOYSA-N
XLogP0.98
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
3,3-dimethyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 103708039
3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66169874
2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 64550167
1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106245884
2-ethyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,3-diol
CID 113344550
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol
CID 115630548
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2,3-dimethylbutan-2-ol
CID 111466769
2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 106170960
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
3-(1-benzofuran-2-ylmethylamino)-2-methylpropane-1,2-diol
CID 66168795
2-methyl-3-[(4-methylsulfanylphenyl)methylamino]propane-1,2-diol
CID 66171306

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol (CID 66169654) is 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol is CSCc1ccc(CNCC(C)(O)CO)o1.
What is the InChIKey of 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol?
The InChIKey is ZSQRHLAPYBIVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-11(14,8-13)7-12-5-9-3-4-10(15-9)6-16-2/h3-4,12-14H,5-8H2,1-2H3.
What are the key properties of 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol?
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol has a molecular weight of 245.34 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol is sourced from PubChem (CID 66169654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).