N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide

C9H17N3O3S — CID 62061599

IUPACN-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C9H17N3O3S/c1-4-8(6-13)11-16(14,15)9-5-12(3)7(2)10-9/h5,8,11,13H,4,6H2,1-3H3
InChIKeyPXFIIJUTMKFDJE-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.22
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide

N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 62061599) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID62061599
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C9H17N3O3S/c1-4-8(6-13)11-16(14,15)9-5-12(3)7(2)10-9/h5,8,11,13H,4,6H2,1-3H3
InChIKeyPXFIIJUTMKFDJE-UHFFFAOYSA-N
XLogP-0.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide (CID 62061599) is N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide is CCC(CO)NS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is PXFIIJUTMKFDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-4-8(6-13)11-16(14,15)9-5-12(3)7(2)10-9/h5,8,11,13H,4,6H2,1-3H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62061599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).