[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol

C12H19NO2S — CID 80528732

IUPAC[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol
SMILESCC1(CNCc2ccc(CO)o2)CCCS1
InChIInChI=1S/C12H19NO2S/c1-12(5-2-6-16-12)9-13-7-10-3-4-11(8-14)15-10/h3-4,13-14H,2,5-9H2,1H3
InChIKeyCXDILTWDWOOZME-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.15
Rot. Bonds5

About [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol

[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol (PubChem CID 80528732) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol
PubChem CID80528732
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol
SMILESCC1(CNCc2ccc(CO)o2)CCCS1
InChIInChI=1S/C12H19NO2S/c1-12(5-2-6-16-12)9-13-7-10-3-4-11(8-14)15-10/h3-4,13-14H,2,5-9H2,1H3
InChIKeyCXDILTWDWOOZME-UHFFFAOYSA-N
XLogP2.15
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 80725729
methyl 2-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-3-carboxylate
CID 80725751
4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]thian-4-ol
CID 111467012
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-yl]methanol
CID 64579359
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 80726014
1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 115702799
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528676
N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 80723518
1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80723834
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
2-bromo-4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenol
CID 80723443

Frequently Asked Questions

What is the IUPAC name of [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol (CID 80528732) is [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol is CC1(CNCc2ccc(CO)o2)CCCS1.
What is the InChIKey of [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol?
The InChIKey is CXDILTWDWOOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(5-2-6-16-12)9-13-7-10-3-4-11(8-14)15-10/h3-4,13-14H,2,5-9H2,1H3.
What are the key properties of [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol?
[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol has a molecular weight of 241.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 80528732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).