2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide

C9H17N3O4S2 — CID 106735852

IUPAC2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide
SMILESCCCS(=O)(=O)CCn1cc(S(N)(=O)=O)nc1C
InChIInChI=1S/C9H17N3O4S2/c1-3-5-17(13,14)6-4-12-7-9(11-8(12)2)18(10,15)16/h7H,3-6H2,1-2H3,(H2,10,15,16)
InChIKeyNVIZOKBSIFXZOX-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.34
Rot. Bonds6

About 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide

2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide (PubChem CID 106735852) has the molecular formula C9H17N3O4S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide
PubChem CID106735852
Molecular FormulaC9H17N3O4S2
Molecular Weight295.39 g/mol
Exact Mass295.07
IUPAC Name2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide
SMILESCCCS(=O)(=O)CCn1cc(S(N)(=O)=O)nc1C
InChIInChI=1S/C9H17N3O4S2/c1-3-5-17(13,14)6-4-12-7-9(11-8(12)2)18(10,15)16/h7H,3-6H2,1-2H3,(H2,10,15,16)
InChIKeyNVIZOKBSIFXZOX-UHFFFAOYSA-N
XLogP-0.34
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonyl chloride
CID 106728498
1-(2-cyclopropylethyl)-2-methylimidazole-4-sulfonamide
CID 81340861
1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82913371
2-propan-2-yl-1-propylimidazole-4-sulfonamide
CID 81340774
N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 64591736
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340078
N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 55030774
N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63396389
1-pentyl-2-propan-2-ylimidazole-4-sulfonamide
CID 81340675
N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide
CID 62063542
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
1-hexyl-2-propylimidazole-4-sulfonamide
CID 81340476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide?
The IUPAC name of 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide (CID 106735852) is 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide is CCCS(=O)(=O)CCn1cc(S(N)(=O)=O)nc1C.
What is the InChIKey of 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide?
The InChIKey is NVIZOKBSIFXZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S2/c1-3-5-17(13,14)6-4-12-7-9(11-8(12)2)18(10,15)16/h7H,3-6H2,1-2H3,(H2,10,15,16).
What are the key properties of 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide?
2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide has a molecular weight of 295.39 g/mol, XLogP of -0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 106735852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).