5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide

C14H24N2O4S — CID 83035865

IUPAC5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide
SMILESCCC1(CC)CC(NCc2ccc(S(N)(=O)=O)o2)CCO1
InChIInChI=1S/C14H24N2O4S/c1-3-14(4-2)9-11(7-8-19-14)16-10-12-5-6-13(20-12)21(15,17)18/h5-6,11,16H,3-4,7-10H2,1-2H3,(H2,15,17,18)
InChIKeyHFJCJKLBNALPMG-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.75
Rot. Bonds6

About 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide

5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide (PubChem CID 83035865) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide
PubChem CID83035865
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide
SMILESCCC1(CC)CC(NCc2ccc(S(N)(=O)=O)o2)CCO1
InChIInChI=1S/C14H24N2O4S/c1-3-14(4-2)9-11(7-8-19-14)16-10-12-5-6-13(20-12)21(15,17)18/h5-6,11,16H,3-4,7-10H2,1-2H3,(H2,15,17,18)
InChIKeyHFJCJKLBNALPMG-UHFFFAOYSA-N
XLogP1.75
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide
CID 83036290
2-[(2,2-diethyloxan-4-yl)amino]benzenesulfonamide
CID 83037092
2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
CID 82760875
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
CID 81384910
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
CID 82765202
N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
CID 82765208
2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
CID 83032839
5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
CID 82765196
4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034731

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide (CID 83035865) is 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide is CCC1(CC)CC(NCc2ccc(S(N)(=O)=O)o2)CCO1.
What is the InChIKey of 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide?
The InChIKey is HFJCJKLBNALPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-14(4-2)9-11(7-8-19-14)16-10-12-5-6-13(20-12)21(15,17)18/h5-6,11,16H,3-4,7-10H2,1-2H3,(H2,15,17,18).
What are the key properties of 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide?
5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-diethyloxan-4-yl)amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 83035865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).