4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide

C14H25N3O3S — CID 106052694

IUPAC4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)NC1CCN(C)C1
InChIInChI=1S/C14H25N3O3S/c1-5-15-8-13-10(2)20-11(3)14(13)21(18,19)16-12-6-7-17(4)9-12/h12,15-16H,5-9H2,1-4H3
InChIKeyWNRCAMNLWKJJCN-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.99
Rot. Bonds6

About 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide

4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide (PubChem CID 106052694) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide
PubChem CID106052694
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)NC1CCN(C)C1
InChIInChI=1S/C14H25N3O3S/c1-5-15-8-13-10(2)20-11(3)14(13)21(18,19)16-12-6-7-17(4)9-12/h12,15-16H,5-9H2,1-4H3
InChIKeyWNRCAMNLWKJJCN-UHFFFAOYSA-N
XLogP0.99
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-2,5-dimethyl-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075393
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
2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084440
4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide
CID 106028812
N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 114552199
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide
CID 106017747
5-(ethylaminomethyl)-1-methyl-N-(1-methylpiperidin-3-yl)pyrrole-3-sulfonamide
CID 106017836
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)furan-3-sulfonamide
CID 106080990
5-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)-1-benzofuran-2-sulfonamide
CID 131960678
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
CID 106091492
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025123

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide (CID 106052694) is 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide is CCNCc1c(C)oc(C)c1S(=O)(=O)NC1CCN(C)C1.
What is the InChIKey of 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide?
The InChIKey is WNRCAMNLWKJJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-5-15-8-13-10(2)20-11(3)14(13)21(18,19)16-12-6-7-17(4)9-12/h12,15-16H,5-9H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide?
4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 106052694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).