2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide

C9H17N3O3S2 — CID 115897720

IUPAC2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCC(C)S(C)=O)[nH]1
InChIInChI=1S/C9H17N3O3S2/c1-7(16(3)13)4-5-11-17(14,15)9-6-10-8(2)12-9/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyKLUZHFYJTBNTLL-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.15
Rot. Bonds6

About 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide

2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide (PubChem CID 115897720) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
PubChem CID115897720
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC Name2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCC(C)S(C)=O)[nH]1
InChIInChI=1S/C9H17N3O3S2/c1-7(16(3)13)4-5-11-17(14,15)9-6-10-8(2)12-9/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyKLUZHFYJTBNTLL-UHFFFAOYSA-N
XLogP0.15
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103080924
3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901976
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
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-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 104873303
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 79027971
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide (CID 115897720) is 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCC(C)S(C)=O)[nH]1.
What is the InChIKey of 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide?
The InChIKey is KLUZHFYJTBNTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-7(16(3)13)4-5-11-17(14,15)9-6-10-8(2)12-9/h6-7,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide has a molecular weight of 279.39 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 115897720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).