N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide

C10H15N3O4S — CID 63732751

IUPACN-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide
SMILESCC(N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H15N3O4S/c1-8(11)6-12-18(16,17)7-9-2-4-10(5-3-9)13(14)15/h2-5,8,12H,6-7,11H2,1H3
InChIKeySJIXEENYGJEJRI-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.36
Rot. Bonds6

About N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide

N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide (PubChem CID 63732751) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide
PubChem CID63732751
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC NameN-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide
SMILESCC(N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H15N3O4S/c1-8(11)6-12-18(16,17)7-9-2-4-10(5-3-9)13(14)15/h2-5,8,12H,6-7,11H2,1H3
InChIKeySJIXEENYGJEJRI-UHFFFAOYSA-N
XLogP0.36
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide 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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 119976062
N-[2-methyl-3-(methylamino)propyl]-1-(4-nitrophenyl)methanesulfonamide
CID 115302833
2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide
CID 107258388
1-(4-nitrophenyl)-N-prop-2-ynylmethanesulfonamide
CID 58956310
2-[(4-nitrophenyl)methylsulfonylamino]ethanesulfonamide
CID 61132756
1-(4-nitrophenyl)-N-pentan-3-ylmethanesulfonamide
CID 47164690
(2S)-2-[(4-nitrophenyl)methylsulfonylamino]propanoic acid
CID 28523651
2-[(4-methylphenyl)methyl]-3-[(4-nitrophenyl)methylsulfonylamino]propanoic acid
CID 167887981
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-1-(4-nitrophenyl)methanesulfonamide
CID 52504590
N-(4-cyanobutyl)-1-(4-nitrophenyl)methanesulfonamide
CID 63297230
1-(4-nitrophenyl)-N-pent-1-yn-3-ylmethanesulfonamide
CID 106898730
N-(2,3-dihydroxy-2-methylpropyl)-1-(4-nitrophenyl)methanesulfonamide
CID 66169697

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide (CID 63732751) is N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide is CC(N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide?
The InChIKey is SJIXEENYGJEJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-8(11)6-12-18(16,17)7-9-2-4-10(5-3-9)13(14)15/h2-5,8,12H,6-7,11H2,1H3.
What are the key properties of N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide?
N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 63732751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).