N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide

C11H21N3O3S — CID 83025121

IUPACN',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
SMILESCC(C)CNCc1ccc(S(=O)(=O)NN(C)C)o1
InChIInChI=1S/C11H21N3O3S/c1-9(2)7-12-8-10-5-6-11(17-10)18(15,16)13-14(3)4/h5-6,9,12-13H,7-8H2,1-4H3
InChIKeyWXOGGNWTOLTBHN-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.78
Rot. Bonds7

About N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide

N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide (PubChem CID 83025121) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
PubChem CID83025121
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
SMILESCC(C)CNCc1ccc(S(=O)(=O)NN(C)C)o1
InChIInChI=1S/C11H21N3O3S/c1-9(2)7-12-8-10-5-6-11(17-10)18(15,16)13-14(3)4/h5-6,9,12-13H,7-8H2,1-4H3
InChIKeyWXOGGNWTOLTBHN-UHFFFAOYSA-N
XLogP0.78
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 106177091
N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 104766789
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79858301
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62462201
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
CID 79266874
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62426314
5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
CID 102701246

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide?
The IUPAC name of N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide (CID 83025121) is N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide.
What is the SMILES notation for N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide?
The canonical SMILES for N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide is CC(C)CNCc1ccc(S(=O)(=O)NN(C)C)o1.
What is the InChIKey of N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide?
The InChIKey is WXOGGNWTOLTBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-9(2)7-12-8-10-5-6-11(17-10)18(15,16)13-14(3)4/h5-6,9,12-13H,7-8H2,1-4H3.
What are the key properties of N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide?
N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide has a molecular weight of 275.37 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide is sourced from PubChem (CID 83025121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).