2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide

C10H16N2O3S — CID 106170960

IUPAC2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
SMILESCSCc1ccc(CNCC(O)C(N)=O)o1
InChIInChI=1S/C10H16N2O3S/c1-16-6-8-3-2-7(15-8)4-12-5-9(13)10(11)14/h2-3,9,12-13H,4-6H2,1H3,(H2,11,14)
InChIKeyJFYUGDOEFWCOEW-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.08
Rot. Bonds7

About 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide

2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide (PubChem CID 106170960) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
PubChem CID106170960
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
SMILESCSCc1ccc(CNCC(O)C(N)=O)o1
InChIInChI=1S/C10H16N2O3S/c1-16-6-8-3-2-7(15-8)4-12-5-9(13)10(11)14/h2-3,9,12-13H,4-6H2,1H3,(H2,11,14)
InChIKeyJFYUGDOEFWCOEW-UHFFFAOYSA-N
XLogP0.08
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
CID 106170390
2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 115655562
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
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
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
CID 61011504
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
methyl 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]propanoate
CID 103958190
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 43771633
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 61060082
N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 54935769

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide (CID 106170960) is 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide is CSCc1ccc(CNCC(O)C(N)=O)o1.
What is the InChIKey of 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide?
The InChIKey is JFYUGDOEFWCOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-16-6-8-3-2-7(15-8)4-12-5-9(13)10(11)14/h2-3,9,12-13H,4-6H2,1H3,(H2,11,14).
What are the key properties of 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide?
2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide has a molecular weight of 244.32 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide is sourced from PubChem (CID 106170960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).