N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine

C15H26N2O3S — CID 104692777

IUPACN-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCCCCC2CC)o1
InChIInChI=1S/C15H26N2O3S/c1-3-13-8-6-5-7-11-17(13)21(18,19)15-10-9-14(20-15)12-16-4-2/h9-10,13,16H,3-8,11-12H2,1-2H3
InChIKeyBARGWZJCXJNBKU-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.73
Rot. Bonds6

About N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine

N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine (PubChem CID 104692777) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
PubChem CID104692777
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCCCCC2CC)o1
InChIInChI=1S/C15H26N2O3S/c1-3-13-8-6-5-7-11-17(13)21(18,19)15-10-9-14(20-15)12-16-4-2/h9-10,13,16H,3-8,11-12H2,1-2H3
InChIKeyBARGWZJCXJNBKU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
CID 104692778
N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
CID 103504076
[5-bromo-4-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
CID 104692787
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 60974926
1-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonyl-2-ethylazepane
CID 104692858
2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide
CID 106367875
4-(2-ethylazepan-1-yl)sulfonyl-2-fluoroaniline
CID 104688737
3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879290
[3-bromo-4-(2-ethylazepan-1-yl)sulfonylphenyl]methanol
CID 104692826
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine (CID 104692777) is N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine is CCNCc1ccc(S(=O)(=O)N2CCCCCC2CC)o1.
What is the InChIKey of N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine?
The InChIKey is BARGWZJCXJNBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-13-8-6-5-7-11-17(13)21(18,19)15-10-9-14(20-15)12-16-4-2/h9-10,13,16H,3-8,11-12H2,1-2H3.
What are the key properties of N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine?
N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine has a molecular weight of 314.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 104692777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).