N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine

C14H23NO2S — CID 113260426

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine
SMILESCC1CC1c1ccc(CNCCC(C)S(C)=O)o1
InChIInChI=1S/C14H23NO2S/c1-10-8-13(10)14-5-4-12(17-14)9-15-7-6-11(2)18(3)16/h4-5,10-11,13,15H,6-9H2,1-3H3
InChIKeyQUVXDXSIDLRPID-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.65
Rot. Bonds7

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine (PubChem CID 113260426) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine
PubChem CID113260426
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine
SMILESCC1CC1c1ccc(CNCCC(C)S(C)=O)o1
InChIInChI=1S/C14H23NO2S/c1-10-8-13(10)14-5-4-12(17-14)9-15-7-6-11(2)18(3)16/h4-5,10-11,13,15H,6-9H2,1-3H3
InChIKeyQUVXDXSIDLRPID-UHFFFAOYSA-N
XLogP2.65
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 4723413
N-(1-Methyl-2-phenylethyl)-5-((methylthio)methyl)-2-furanmethanamine
CID 32034
Iem 538
CID 32035
N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide
CID 56790134
N-{[5-(2-methylcyclopropyl)furan-2-yl]methyl}cyclopropanamine
CID 16790004
rac-(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidine
CID 95566875
rac-(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine
CID 95566888
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
N-{[5-(2-fluorophenyl)furan-2-yl]methyl}-2-methylpropan-1-amine
CID 2996323
N-(dimethylsulfamoyl)-N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 47025239
N-methyl-N-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propan-2-amine
CID 53500395
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 53531238

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine (CID 113260426) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine is CC1CC1c1ccc(CNCCC(C)S(C)=O)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine?
The InChIKey is QUVXDXSIDLRPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10-8-13(10)14-5-4-12(17-14)9-15-7-6-11(2)18(3)16/h4-5,10-11,13,15H,6-9H2,1-3H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine is sourced from PubChem (CID 113260426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).