N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine

C15H26N2O3S — CID 62344557

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2ccc(CC)o2)CC1
InChIInChI=1S/C15H26N2O3S/c1-3-11-21(18,19)17-9-7-13(8-10-17)16-12-15-6-5-14(4-2)20-15/h5-6,13,16H,3-4,7-12H2,1-2H3
InChIKeyLHEHWTNGLIAPKU-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.14
Rot. Bonds7

About N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine

N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine (PubChem CID 62344557) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
PubChem CID62344557
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2ccc(CC)o2)CC1
InChIInChI=1S/C15H26N2O3S/c1-3-11-21(18,19)17-9-7-13(8-10-17)16-12-15-6-5-14(4-2)20-15/h5-6,13,16H,3-4,7-12H2,1-2H3
InChIKeyLHEHWTNGLIAPKU-UHFFFAOYSA-N
XLogP2.14
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-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

N-[(5-iodofuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43791483
N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine
CID 75382744
N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine
CID 75426807
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43747948
1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine
CID 62346420
3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43747980
1-propylsulfonyl-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 62748365
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 126777889
N-(1H-imidazol-5-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 62761764

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine (CID 62344557) is N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NCc2ccc(CC)o2)CC1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
The InChIKey is LHEHWTNGLIAPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-11-21(18,19)17-9-7-13(8-10-17)16-12-15-6-5-14(4-2)20-15/h5-6,13,16H,3-4,7-12H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine has a molecular weight of 314.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 62344557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).