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

C16H28N2O3S — CID 75382744

IUPACN-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC(C)c2ccc(CC)o2)CC1
InChIInChI=1S/C16H28N2O3S/c1-4-12-22(19,20)18-10-8-14(9-11-18)17-13(3)16-7-6-15(5-2)21-16/h6-7,13-14,17H,4-5,8-12H2,1-3H3
InChIKeyCZFHNULAUBECJP-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.70
Rot. Bonds7

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

N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine (PubChem CID 75382744) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine
PubChem CID75382744
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC(C)c2ccc(CC)o2)CC1
InChIInChI=1S/C16H28N2O3S/c1-4-12-22(19,20)18-10-8-14(9-11-18)17-13(3)16-7-6-15(5-2)21-16/h6-7,13-14,17H,4-5,8-12H2,1-3H3
InChIKeyCZFHNULAUBECJP-UHFFFAOYSA-N
XLogP2.70
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine
CID 97102498
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-[(5-iodofuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43791483
(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 97108049
N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
CID 43109619
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 97230058
N-[1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 75382742
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine
CID 43182992
1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine
CID 28731265
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 43224712
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine (CID 75382744) is N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NC(C)c2ccc(CC)o2)CC1.
What is the InChIKey of N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine?
The InChIKey is CZFHNULAUBECJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-4-12-22(19,20)18-10-8-14(9-11-18)17-13(3)16-7-6-15(5-2)21-16/h6-7,13-14,17H,4-5,8-12H2,1-3H3.
What are the key properties of N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine?
N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine has a molecular weight of 328.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylfuran-2-yl)ethyl]-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 75382744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).