[5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol

C11H17NO2S — CID 115880216

IUPAC[5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)C1CCSC1
InChIInChI=1S/C11H17NO2S/c1-12(9-4-5-15-8-9)6-10-2-3-11(7-13)14-10/h2-3,9,13H,4-8H2,1H3
InChIKeyVUWJVJWSVXDAFE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.71
Rot. Bonds4

About [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol

[5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol (PubChem CID 115880216) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol
PubChem CID115880216
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name[5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)C1CCSC1
InChIInChI=1S/C11H17NO2S/c1-12(9-4-5-15-8-9)6-10-2-3-11(7-13)14-10/h2-3,9,13H,4-8H2,1H3
InChIKeyVUWJVJWSVXDAFE-UHFFFAOYSA-N
XLogP1.71
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine
CID 130863024
2-methyl-5-[[methyl(thiolan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 43477431
N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine
CID 55074646
[2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol
CID 130215315
(E)-3-[4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375455
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 43296812
3-[[methyl(thiolan-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 43296850
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine
CID 121020811
methyl 2-[[methyl(thiolan-3-yl)amino]methyl]benzoate
CID 82969785
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 55074791
2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide
CID 55213439

Frequently Asked Questions

What is the IUPAC name of [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol (CID 115880216) is [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol is CN(Cc1ccc(CO)o1)C1CCSC1.
What is the InChIKey of [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol?
The InChIKey is VUWJVJWSVXDAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12(9-4-5-15-8-9)6-10-2-3-11(7-13)14-10/h2-3,9,13H,4-8H2,1H3.
What are the key properties of [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol?
[5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol has a molecular weight of 227.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 115880216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).