1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide

C10H17N3O3S — CID 79372781

IUPAC1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC2CC(O)C2)c1
InChIInChI=1S/C10H17N3O3S/c1-2-13-6-10(11-7-13)17(15,16)12-5-8-3-9(14)4-8/h6-9,12,14H,2-5H2,1H3
InChIKeyJUVQVWIWKILYFZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.05
Rot. Bonds5

About 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide

1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide (PubChem CID 79372781) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide
PubChem CID79372781
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC2CC(O)C2)c1
InChIInChI=1S/C10H17N3O3S/c1-2-13-6-10(11-7-13)17(15,16)12-5-8-3-9(14)4-8/h6-9,12,14H,2-5H2,1H3
InChIKeyJUVQVWIWKILYFZ-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide (CID 79372781) is 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCC2CC(O)C2)c1.
What is the InChIKey of 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide?
The InChIKey is JUVQVWIWKILYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-13-6-10(11-7-13)17(15,16)12-5-8-3-9(14)4-8/h6-9,12,14H,2-5H2,1H3.
What are the key properties of 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide?
1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 79372781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).