4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide

C14H24N2O3S2 — CID 106091492

IUPAC4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2c(C)oc(C)c2CN)C1
InChIInChI=1S/C14H24N2O3S2/c1-4-20-12-6-5-11(7-12)16-21(17,18)14-10(3)19-9(2)13(14)8-15/h11-12,16H,4-8,15H2,1-3H3
InChIKeyOAKABAIJDIYUDR-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.31
Rot. Bonds6

About 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide

4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 106091492) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID106091492
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2c(C)oc(C)c2CN)C1
InChIInChI=1S/C14H24N2O3S2/c1-4-20-12-6-5-11(7-12)16-21(17,18)14-10(3)19-9(2)13(14)8-15/h11-12,16H,4-8,15H2,1-3H3
InChIKeyOAKABAIJDIYUDR-UHFFFAOYSA-N
XLogP2.31
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1,1-dioxothian-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106065911
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106075114
4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001244
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
CID 113248074
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide
CID 106064030
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
CID 114142062
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide (CID 106091492) is 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide is CCSC1CCC(NS(=O)(=O)c2c(C)oc(C)c2CN)C1.
What is the InChIKey of 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is OAKABAIJDIYUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-4-20-12-6-5-11(7-12)16-21(17,18)14-10(3)19-9(2)13(14)8-15/h11-12,16H,4-8,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide?
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 106091492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).