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

C13H24N2O3S — CID 106331727

IUPAC4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C13H24N2O3S/c1-6-13(5,7-2)15-19(16,17)12-10(4)18-9(3)11(12)8-14/h15H,6-8,14H2,1-5H3
InChIKeyYNLHIXRBHOPTLM-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.21
Rot. Bonds6

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

4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide (PubChem CID 106331727) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
PubChem CID106331727
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C13H24N2O3S/c1-6-13(5,7-2)15-19(16,17)12-10(4)18-9(3)11(12)8-14/h15H,6-8,14H2,1-5H3
InChIKeyYNLHIXRBHOPTLM-UHFFFAOYSA-N
XLogP2.21
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methylbutan-2-yl)furan-3-sulfonamide
CID 106031565
4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
CID 114142062
4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide
CID 106074131
4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide
CID 114141965
4-(aminomethyl)-2,5-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]furan-3-sulfonamide
CID 106055578
2-amino-3,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327896
4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106061164
N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
CID 103465907
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide
CID 106064030
4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106087975
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
CID 106091492

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide (CID 106331727) is 4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide is CCC(C)(CC)NS(=O)(=O)c1c(C)oc(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide?
The InChIKey is YNLHIXRBHOPTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-6-13(5,7-2)15-19(16,17)12-10(4)18-9(3)11(12)8-14/h15H,6-8,14H2,1-5H3.
What are the key properties of 4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide?
4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 106331727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).