N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide

C8H13N3O3S — CID 64994110

IUPACN-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H13N3O3S/c1-3-7(12)6(2)11-15(13,14)8-4-9-5-10-8/h4-6,11H,3H2,1-2H3,(H,9,10)
InChIKeySJBXSJWMPOGOCD-UHFFFAOYSA-N
MW231.28 g/mol
LogP0.06
Rot. Bonds5

About N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide

N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide (PubChem CID 64994110) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
PubChem CID64994110
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H13N3O3S/c1-3-7(12)6(2)11-15(13,14)8-4-9-5-10-8/h4-6,11H,3H2,1-2H3,(H,9,10)
InChIKeySJBXSJWMPOGOCD-UHFFFAOYSA-N
XLogP0.06
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate
CID 81005469
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 113239207
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-imidazole-5-sulfonamide
CID 112692305
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943314
N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide
CID 77021293
2-(1H-imidazol-5-ylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786144
2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid
CID 79806947
1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide
CID 64994260
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
CID 99793097
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide (CID 64994110) is N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide is CCC(=O)C(C)NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is SJBXSJWMPOGOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-3-7(12)6(2)11-15(13,14)8-4-9-5-10-8/h4-6,11H,3H2,1-2H3,(H,9,10).
What are the key properties of N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide?
N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 64994110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).