4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide

C15H28N2O3S — CID 106028812

IUPAC4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C15H28N2O3S/c1-7-16-9-14-12(5)20-13(6)15(14)21(18,19)17-11(4)8-10(2)3/h10-11,16-17H,7-9H2,1-6H3
InChIKeyDMUBVBJZUAWVLQ-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.72
Rot. Bonds8

About 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide

4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide (PubChem CID 106028812) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide
PubChem CID106028812
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C15H28N2O3S/c1-7-16-9-14-12(5)20-13(6)15(14)21(18,19)17-11(4)8-10(2)3/h10-11,16-17H,7-9H2,1-6H3
InChIKeyDMUBVBJZUAWVLQ-UHFFFAOYSA-N
XLogP2.72
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide
CID 106032220
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methylbutan-2-yl)furan-3-sulfonamide
CID 106031565
4-(ethylaminomethyl)-5-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106028545
N-(1-ethoxypropan-2-yl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106054301
4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
CID 114142062
4-(ethylaminomethyl)-2,5-dimethyl-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075393
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)furan-3-sulfonamide
CID 106080990
4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031890
4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106054187
4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide
CID 106052694
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059178

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide (CID 106028812) is 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide is CCNCc1c(C)oc(C)c1S(=O)(=O)NC(C)CC(C)C.
What is the InChIKey of 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide?
The InChIKey is DMUBVBJZUAWVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-7-16-9-14-12(5)20-13(6)15(14)21(18,19)17-11(4)8-10(2)3/h10-11,16-17H,7-9H2,1-6H3.
What are the key properties of 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide?
4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106028812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).