2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide

C9H17N3O4S2 — CID 79555580

IUPAC2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)[nH]1
InChIInChI=1S/C9H17N3O4S2/c1-7-10-5-8(12-7)18(15,16)11-6-9(2,3)17(4,13)14/h5,11H,6H2,1-4H3,(H,10,12)
InChIKeyTUKRKEPFGBHYPK-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.18
Rot. Bonds5

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

2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide (PubChem CID 79555580) has the molecular formula C9H17N3O4S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
PubChem CID79555580
Molecular FormulaC9H17N3O4S2
Molecular Weight295.39 g/mol
Exact Mass295.07
IUPAC Name2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)[nH]1
InChIInChI=1S/C9H17N3O4S2/c1-7-10-5-8(12-7)18(15,16)11-6-9(2,3)17(4,13)14/h5,11H,6H2,1-4H3,(H,10,12)
InChIKeyTUKRKEPFGBHYPK-UHFFFAOYSA-N
XLogP-0.18
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
1H-imidazole-4-sulfonamide
CID 22747796
2-methyl-1H-imidazole-5-sulfonyl chloride
CID 10583549
N,N-dimethyl-1H-imidazole-4-sulfonamide
CID 54593459
N-methyl-1H-imidazole-4-sulfonamide
CID 54164638
N-cyclopropyl-1H-imidazole-4-sulfonamide
CID 54593460
N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 2810678
2-ethenyl-5-[fluorosulfonyloxy(methyl)sulfamoyl]-1H-imidazole
CID 170202945
2,3-dimethyl-4-(trifluoromethylsulfonyl)-1H-imidazol-3-ium;trifluoromethanesulfonate
CID 176146702
3-ethyl-2-methyl-4-(trifluoromethylsulfonyl)-1H-imidazol-3-ium;trifluoromethanesulfonate
CID 176146744
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 62999490
N,2-dimethyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64148673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide (CID 79555580) is 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)[nH]1.
What is the InChIKey of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide?
The InChIKey is TUKRKEPFGBHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S2/c1-7-10-5-8(12-7)18(15,16)11-6-9(2,3)17(4,13)14/h5,11H,6H2,1-4H3,(H,10,12).
What are the key properties of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide has a molecular weight of 295.39 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79555580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).