N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide

C10H17N3O5S — CID 63864439

IUPACN-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1ccc([N+](=O)[O-])o1)NS(C)(=O)=O
InChIInChI=1S/C10H17N3O5S/c1-10(2,12-19(3,16)17)7-11-6-8-4-5-9(18-8)13(14)15/h4-5,11-12H,6-7H2,1-3H3
InChIKeyMPKXBMYAADKBGU-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.61
Rot. Bonds7

About N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide (PubChem CID 63864439) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide
PubChem CID63864439
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC NameN-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1ccc([N+](=O)[O-])o1)NS(C)(=O)=O
InChIInChI=1S/C10H17N3O5S/c1-10(2,12-19(3,16)17)7-11-6-8-4-5-9(18-8)13(14)15/h4-5,11-12H,6-7H2,1-3H3
InChIKeyMPKXBMYAADKBGU-UHFFFAOYSA-N
XLogP0.61
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858420
N-[1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 107349186
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
N-[3-[(5-nitrofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43771752
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590
N-[(5-nitrofuran-2-yl)methyl]prop-2-en-1-amine
CID 43755376
N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide
CID 112689839
ethyl 2-[(5-nitrofuran-2-yl)methylamino]acetate
CID 60811614
N-[2-methyl-1-(2-nitroanilino)propan-2-yl]methanesulfonamide
CID 63858648
N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859642
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
2-methyl-3-methylsulfanyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 63981267

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide (CID 63864439) is N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide is CC(C)(CNCc1ccc([N+](=O)[O-])o1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide?
The InChIKey is MPKXBMYAADKBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-10(2,12-19(3,16)17)7-11-6-8-4-5-9(18-8)13(14)15/h4-5,11-12H,6-7H2,1-3H3.
What are the key properties of N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide has a molecular weight of 291.33 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63864439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).