5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide

C13H24N2O3S — CID 106331722

IUPAC5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(C)(CC)CC)o1
InChIInChI=1S/C13H24N2O3S/c1-5-13(4,6-2)15-19(16,17)12-9-8-11(18-12)10-14-7-3/h8-9,14-15H,5-7,10H2,1-4H3
InChIKeyMIFOCRYCDPYXCY-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.25
Rot. Bonds8

About 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide

5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide (PubChem CID 106331722) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
PubChem CID106331722
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(C)(CC)CC)o1
InChIInChI=1S/C13H24N2O3S/c1-5-13(4,6-2)15-19(16,17)12-9-8-11(18-12)10-14-7-3/h8-9,14-15H,5-7,10H2,1-4H3
InChIKeyMIFOCRYCDPYXCY-UHFFFAOYSA-N
XLogP2.25
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 106328341
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
CID 79266874
5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide
CID 106215501
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
5-(ethylaminomethyl)-N-pyridin-2-ylfuran-2-sulfonamide
CID 106082609
5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide
CID 106028474
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018
5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide
CID 106029546
5-(ethylaminomethyl)-N-(1,3-thiazol-2-yl)furan-2-sulfonamide
CID 106031932

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide (CID 106331722) is 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NC(C)(CC)CC)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide?
The InChIKey is MIFOCRYCDPYXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-5-13(4,6-2)15-19(16,17)12-9-8-11(18-12)10-14-7-3/h8-9,14-15H,5-7,10H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide?
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 106331722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).