N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide

C7H13ClN4O2S — CID 61247762

IUPACN-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCN)c1Cl
InChIInChI=1S/C7H13ClN4O2S/c1-12-5-10-7(6(12)8)15(13,14)11-4-2-3-9/h5,11H,2-4,9H2,1H3
InChIKeyXMJCJDQQMHEHNQ-UHFFFAOYSA-N
MW252.73 g/mol
LogP-0.30
Rot. Bonds5

About N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide

N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 61247762) has the molecular formula C7H13ClN4O2S and a molecular weight of 252.73 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
PubChem CID61247762
Molecular FormulaC7H13ClN4O2S
Molecular Weight252.73 g/mol
Exact Mass252.04
IUPAC NameN-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCN)c1Cl
InChIInChI=1S/C7H13ClN4O2S/c1-12-5-10-7(6(12)8)15(13,14)11-4-2-3-9/h5,11H,2-4,9H2,1H3
InChIKeyXMJCJDQQMHEHNQ-UHFFFAOYSA-N
XLogP-0.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide 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-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
CID 63965435
5-chloro-1-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
CID 79040358
5-chloro-N-(4-hydroxypentyl)-1-methylimidazole-4-sulfonamide
CID 107271238
5-chloro-N-(5-hydroxy-4-methylpentyl)-1-methylimidazole-4-sulfonamide
CID 103858809
5-chloro-N-[2-(ethylsulfamoyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 113233818
methyl 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 60745024
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 103834891
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 65035723
5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-1-methylimidazole-4-sulfonamide
CID 113233532
5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
CID 43415290

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide (CID 61247762) is N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCN)c1Cl.
What is the InChIKey of N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is XMJCJDQQMHEHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN4O2S/c1-12-5-10-7(6(12)8)15(13,14)11-4-2-3-9/h5,11H,2-4,9H2,1H3.
What are the key properties of N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide?
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 252.73 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 61247762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).