[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol

C12H19NO2S — CID 115733353

IUPAC[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol
SMILESCSCc1ccc(CNC2(CO)CCC2)o1
InChIInChI=1S/C12H19NO2S/c1-16-8-11-4-3-10(15-11)7-13-12(9-14)5-2-6-12/h3-4,13-14H,2,5-9H2,1H3
InChIKeyVQOLUBLNWSPNHZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.15
Rot. Bonds6

About [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol

[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol (PubChem CID 115733353) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol
PubChem CID115733353
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol
SMILESCSCc1ccc(CNC2(CO)CCC2)o1
InChIInChI=1S/C12H19NO2S/c1-16-8-11-4-3-10(15-11)7-13-12(9-14)5-2-6-12/h3-4,13-14H,2,5-9H2,1H3
InChIKeyVQOLUBLNWSPNHZ-UHFFFAOYSA-N
XLogP2.15
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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 [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol with MolForge

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Related Compounds

[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol
CID 115762994
[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol
CID 103765942
5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]furan-2-carboxylic acid
CID 106297075
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654
2-ethyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,3-diol
CID 113344550
methyl 5-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]furan-2-carboxylate
CID 62551826
2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81164337
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
CID 61222112
N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 82710130
4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 106125741

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol (CID 115733353) is [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol is CSCc1ccc(CNC2(CO)CCC2)o1.
What is the InChIKey of [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol?
The InChIKey is VQOLUBLNWSPNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-16-8-11-4-3-10(15-11)7-13-12(9-14)5-2-6-12/h3-4,13-14H,2,5-9H2,1H3.
What are the key properties of [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol?
[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol has a molecular weight of 241.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol is sourced from PubChem (CID 115733353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).