1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine

C13H23NO3S — CID 113422024

IUPAC1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(CC)o1)C(C)S(C)(=O)=O
InChIInChI=1S/C13H23NO3S/c1-5-9-14-13(10(3)18(4,15)16)12-8-7-11(6-2)17-12/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyKWRDZNAEUAKYLZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.32
Rot. Bonds7

About 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine

1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 113422024) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine
PubChem CID113422024
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(CC)o1)C(C)S(C)(=O)=O
InChIInChI=1S/C13H23NO3S/c1-5-9-14-13(10(3)18(4,15)16)12-8-7-11(6-2)17-12/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyKWRDZNAEUAKYLZ-UHFFFAOYSA-N
XLogP2.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine
CID 63505068
methyl 5-[2-methylsulfonyl-1-(propylamino)propyl]furan-2-carboxylate
CID 104519069
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
1-(3,4-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518652
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518874
1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine
CID 105000824
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105033129
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341
1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518934
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518674
2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991213
1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518757

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine (CID 113422024) is 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine is CCCNC(c1ccc(CC)o1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is KWRDZNAEUAKYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-5-9-14-13(10(3)18(4,15)16)12-8-7-11(6-2)17-12/h7-8,10,13-14H,5-6,9H2,1-4H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine?
1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 113422024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).