N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide

C13H22N2O3S — CID 106024727

IUPACN-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCC1CCC1
InChIInChI=1S/C13H22N2O3S/c1-9-12(8-14-3)13(10(2)18-9)19(16,17)15-7-11-5-4-6-11/h11,14-15H,4-8H2,1-3H3
InChIKeyLUZRYOMRXPCAEC-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.69
Rot. Bonds6

About N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide

N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 106024727) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
PubChem CID106024727
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCC1CCC1
InChIInChI=1S/C13H22N2O3S/c1-9-12(8-14-3)13(10(2)18-9)19(16,17)15-7-11-5-4-6-11/h11,14-15H,4-8H2,1-3H3
InChIKeyLUZRYOMRXPCAEC-UHFFFAOYSA-N
XLogP1.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063009
1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine
CID 104969169
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059178
2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084440
4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43371010
N-(3-methoxy-2-methylpropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106050786
N-(2-ethoxypropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106078802
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 114552199
2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433836
2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089517
N-(1-ethoxypropan-2-yl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106054301

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide (CID 106024727) is N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide is CNCc1c(C)oc(C)c1S(=O)(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is LUZRYOMRXPCAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-12(8-14-3)13(10(2)18-9)19(16,17)15-7-11-5-4-6-11/h11,14-15H,4-8H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide?
N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106024727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).