5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide

C14H24N2O4S — CID 83036290

IUPAC5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccc(CN)o2)CCO1
InChIInChI=1S/C14H24N2O4S/c1-3-14(4-2)9-11(7-8-19-14)16-21(17,18)13-6-5-12(10-15)20-13/h5-6,11,16H,3-4,7-10,15H2,1-2H3
InChIKeyUKCRMGUKKIFYPI-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.75
Rot. Bonds6

About 5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide

5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide (PubChem CID 83036290) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide
PubChem CID83036290
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccc(CN)o2)CCO1
InChIInChI=1S/C14H24N2O4S/c1-3-14(4-2)9-11(7-8-19-14)16-21(17,18)13-6-5-12(10-15)20-13/h5-6,11,16H,3-4,7-10,15H2,1-2H3
InChIKeyUKCRMGUKKIFYPI-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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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide (CID 83036290) is 5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide is CCC1(CC)CC(NS(=O)(=O)c2ccc(CN)o2)CCO1.
What is the InChIKey of 5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide?
The InChIKey is UKCRMGUKKIFYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-14(4-2)9-11(7-8-19-14)16-21(17,18)13-6-5-12(10-15)20-13/h5-6,11,16H,3-4,7-10,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide?
5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)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-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide is sourced from PubChem (CID 83036290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).