N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide

C7H14N4O4S2 — CID 103680413

IUPACN-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C7H14N4O4S2/c1-16(12,13)10-3-2-4-11-17(14,15)7-5-8-6-9-7/h5-6,10-11H,2-4H2,1H3,(H,8,9)
InChIKeyDQQUHPRFHKEZCR-UHFFFAOYSA-N
MW282.35 g/mol
LogP-1.37
Rot. Bonds7

About N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide

N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide (PubChem CID 103680413) has the molecular formula C7H14N4O4S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
PubChem CID103680413
Molecular FormulaC7H14N4O4S2
Molecular Weight282.35 g/mol
Exact Mass282.05
IUPAC NameN-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C7H14N4O4S2/c1-16(12,13)10-3-2-4-11-17(14,15)7-5-8-6-9-7/h5-6,10-11H,2-4H2,1H3,(H,8,9)
InChIKeyDQQUHPRFHKEZCR-UHFFFAOYSA-N
XLogP-1.37
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
N-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035
N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
CID 78996204
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide
CID 103835702

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide (CID 103680413) is N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide is CS(=O)(=O)NCCCNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide?
The InChIKey is DQQUHPRFHKEZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O4S2/c1-16(12,13)10-3-2-4-11-17(14,15)7-5-8-6-9-7/h5-6,10-11H,2-4H2,1H3,(H,8,9).
What are the key properties of N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide?
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide has a molecular weight of 282.35 g/mol, XLogP of -1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103680413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).