N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine

C15H26N2O3S — CID 103504076

IUPACN-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCC(C(C)C)CC2)o1
InChIInChI=1S/C15H26N2O3S/c1-4-16-11-14-5-6-15(20-14)21(18,19)17-9-7-13(8-10-17)12(2)3/h5-6,12-13,16H,4,7-11H2,1-3H3
InChIKeyUOKXUVAXRRAHOT-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.45
Rot. Bonds6

About N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine

N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine (PubChem CID 103504076) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
PubChem CID103504076
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCC(C(C)C)CC2)o1
InChIInChI=1S/C15H26N2O3S/c1-4-16-11-14-5-6-15(20-14)21(18,19)17-9-7-13(8-10-17)12(2)3/h5-6,12-13,16H,4,7-11H2,1-3H3
InChIKeyUOKXUVAXRRAHOT-UHFFFAOYSA-N
XLogP2.45
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
CID 104692777
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methyl]propan-2-amine
CID 115562686
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
CID 79266874
1-[5-(chloromethyl)furan-2-yl]sulfonyl-4-methylsulfanylpiperidine
CID 114238587
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511464
5-(ethylaminomethyl)-N-[(2-methylcyclopentyl)methyl]furan-2-sulfonamide
CID 107421037
5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide
CID 106367875
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide
CID 106028474
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
CID 57443922
N-[[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990196
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine (CID 103504076) is N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine is CCNCc1ccc(S(=O)(=O)N2CCC(C(C)C)CC2)o1.
What is the InChIKey of N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine?
The InChIKey is UOKXUVAXRRAHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-16-11-14-5-6-15(20-14)21(18,19)17-9-7-13(8-10-17)12(2)3/h5-6,12-13,16H,4,7-11H2,1-3H3.
What are the key properties of N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine?
N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine has a molecular weight of 314.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 103504076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).