5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide

C12H22N2O3S — CID 114174620

IUPAC5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C12H22N2O3S/c1-5-12(4,6-2)14-18(15,16)11-7-10(8-13)17-9(11)3/h7,14H,5-6,8,13H2,1-4H3
InChIKeyUFSJEUWBOGLUGF-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.90
Rot. Bonds6

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

5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide (PubChem CID 114174620) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
PubChem CID114174620
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C12H22N2O3S/c1-5-12(4,6-2)14-18(15,16)11-7-10(8-13)17-9(11)3/h7,14H,5-6,8,13H2,1-4H3
InChIKeyUFSJEUWBOGLUGF-UHFFFAOYSA-N
XLogP1.90
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 106331727
5-(aminomethyl)-2,3-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331812
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106083828
5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide
CID 106072933
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-sulfonamide
CID 106089733
5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106067984

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide (CID 114174620) is 5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide is CCC(C)(CC)NS(=O)(=O)c1cc(CN)oc1C.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide?
The InChIKey is UFSJEUWBOGLUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-5-12(4,6-2)14-18(15,16)11-7-10(8-13)17-9(11)3/h7,14H,5-6,8,13H2,1-4H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 114174620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).