N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide

C11H21N5O4S — CID 73331935

IUPACN-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
SMILESCc1ncc([N+](=O)[O-])n1CCS(=O)(=O)NCCCN(C)C
InChIInChI=1S/C11H21N5O4S/c1-10-12-9-11(16(17)18)15(10)7-8-21(19,20)13-5-4-6-14(2)3/h9,13H,4-8H2,1-3H3
InChIKeyKWNVQANHEMTZMD-UHFFFAOYSA-N
MW319.39 g/mol
LogP-0.03
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide

N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide (PubChem CID 73331935) has the molecular formula C11H21N5O4S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
PubChem CID73331935
Molecular FormulaC11H21N5O4S
Molecular Weight319.39 g/mol
Exact Mass319.13
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
SMILESCc1ncc([N+](=O)[O-])n1CCS(=O)(=O)NCCCN(C)C
InChIInChI=1S/C11H21N5O4S/c1-10-12-9-11(16(17)18)15(10)7-8-21(19,20)13-5-4-6-14(2)3/h9,13H,4-8H2,1-3H3
InChIKeyKWNVQANHEMTZMD-UHFFFAOYSA-N
XLogP-0.03
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide (CID 73331935) is N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide is Cc1ncc([N+](=O)[O-])n1CCS(=O)(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The InChIKey is KWNVQANHEMTZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O4S/c1-10-12-9-11(16(17)18)15(10)7-8-21(19,20)13-5-4-6-14(2)3/h9,13H,4-8H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide has a molecular weight of 319.39 g/mol, XLogP of -0.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 73331935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).