N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine

C15H19NO3S — CID 64629529

IUPACN-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C15H19NO3S/c1-12(11-20(2,17)18)16-15(14-9-6-10-19-14)13-7-4-3-5-8-13/h3-10,12,15-16H,11H2,1-2H3
InChIKeyIIYQGXVWXQJBFZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.39
Rot. Bonds6

About N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine

N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 64629529) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID64629529
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C15H19NO3S/c1-12(11-20(2,17)18)16-15(14-9-6-10-19-14)13-7-4-3-5-8-13/h3-10,12,15-16H,11H2,1-2H3
InChIKeyIIYQGXVWXQJBFZ-UHFFFAOYSA-N
XLogP2.39
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-1-methylsulfonylpropan-2-amine
CID 64629502
N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630530
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[furan-2-yl(phenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43692754
1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
CID 115707858
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477090
(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 97070512
(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine
CID 90141020
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine (CID 64629529) is N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is IIYQGXVWXQJBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-12(11-20(2,17)18)16-15(14-9-6-10-19-14)13-7-4-3-5-8-13/h3-10,12,15-16H,11H2,1-2H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine?
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 293.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64629529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).