N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide

C8H16N4O4S2 — CID 113349618

IUPACN-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCCNS(C)(=O)=O)[nH]1
InChIInChI=1S/C8H16N4O4S2/c1-7-9-6-8(12-7)18(15,16)11-5-3-4-10-17(2,13)14/h6,10-11H,3-5H2,1-2H3,(H,9,12)
InChIKeySUJWFKSEQRJESS-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.06
Rot. Bonds7

About N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide

N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 113349618) has the molecular formula C8H16N4O4S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID113349618
Molecular FormulaC8H16N4O4S2
Molecular Weight296.37 g/mol
Exact Mass296.06
IUPAC NameN-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCCNS(C)(=O)=O)[nH]1
InChIInChI=1S/C8H16N4O4S2/c1-7-9-6-8(12-7)18(15,16)11-5-3-4-10-17(2,13)14/h6,10-11H,3-5H2,1-2H3,(H,9,12)
InChIKeySUJWFKSEQRJESS-UHFFFAOYSA-N
XLogP-1.06
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.06
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

2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide
CID 77036688
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
CID 115897720
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103080924
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343
4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid
CID 65284923

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 113349618) is N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCCNS(C)(=O)=O)[nH]1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is SUJWFKSEQRJESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4S2/c1-7-9-6-8(12-7)18(15,16)11-5-3-4-10-17(2,13)14/h6,10-11H,3-5H2,1-2H3,(H,9,12).
What are the key properties of N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 296.37 g/mol, XLogP of -1.06, 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]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 113349618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).