N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide

C11H21N3O3S — CID 55030581

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)(C)CO)nc1C
InChIInChI=1S/C11H21N3O3S/c1-5-6-14-7-10(12-9(14)2)18(16,17)13-11(3,4)8-15/h7,13,15H,5-6,8H2,1-4H3
InChIKeyRYSKYLUJQOJXHF-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.65
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 55030581) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID55030581
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)(C)CO)nc1C
InChIInChI=1S/C11H21N3O3S/c1-5-6-14-7-10(12-9(14)2)18(16,17)13-11(3,4)8-15/h7,13,15H,5-6,8H2,1-4H3
InChIKeyRYSKYLUJQOJXHF-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 55030581) is N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC(C)(C)CO)nc1C.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is RYSKYLUJQOJXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-5-6-14-7-10(12-9(14)2)18(16,17)13-11(3,4)8-15/h7,13,15H,5-6,8H2,1-4H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 55030581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).