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

C10H19N5O4S — CID 73331791

IUPACN-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
SMILESCc1ncc([N+](=O)[O-])n1CCS(=O)(=O)NCCN(C)C
InChIInChI=1S/C10H19N5O4S/c1-9-11-8-10(15(16)17)14(9)6-7-20(18,19)12-4-5-13(2)3/h8,12H,4-7H2,1-3H3
InChIKeyLXFLFPSWXZSGPN-UHFFFAOYSA-N
MW305.36 g/mol
LogP-0.42
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide (PubChem CID 73331791) has the molecular formula C10H19N5O4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
PubChem CID73331791
Molecular FormulaC10H19N5O4S
Molecular Weight305.36 g/mol
Exact Mass305.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
SMILESCc1ncc([N+](=O)[O-])n1CCS(=O)(=O)NCCN(C)C
InChIInChI=1S/C10H19N5O4S/c1-9-11-8-10(15(16)17)14(9)6-7-20(18,19)12-4-5-13(2)3/h8,12H,4-7H2,1-3H3
InChIKeyLXFLFPSWXZSGPN-UHFFFAOYSA-N
XLogP-0.42
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide (CID 73331791) is N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide is Cc1ncc([N+](=O)[O-])n1CCS(=O)(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The InChIKey is LXFLFPSWXZSGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O4S/c1-9-11-8-10(15(16)17)14(9)6-7-20(18,19)12-4-5-13(2)3/h8,12H,4-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide has a molecular weight of 305.36 g/mol, XLogP of -0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 73331791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).