1-methyl-N-pentylimidazole-4-sulfonamide

C9H17N3O2S — CID 18961136

IUPAC1-methyl-N-pentylimidazole-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H17N3O2S/c1-3-4-5-6-11-15(13,14)9-7-12(2)8-10-9/h7-8,11H,3-6H2,1-2H3
InChIKeyPSDDWCRIXPKYPW-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.89
Rot. Bonds6

About 1-methyl-N-pentylimidazole-4-sulfonamide

1-methyl-N-pentylimidazole-4-sulfonamide (PubChem CID 18961136) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-methyl-N-pentylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-pentylimidazole-4-sulfonamide
PubChem CID18961136
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-methyl-N-pentylimidazole-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H17N3O2S/c1-3-4-5-6-11-15(13,14)9-7-12(2)8-10-9/h7-8,11H,3-6H2,1-2H3
InChIKeyPSDDWCRIXPKYPW-UHFFFAOYSA-N
XLogP0.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
CID 15100236
1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
CID 18961157
methyl 6-[(1-methylimidazol-4-yl)sulfonylamino]hexanoate
CID 62374971
N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide
CID 106125952
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 3078101
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718
1-methyl-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]imidazole-4-sulfonamide
CID 3071469
N-[2-(2-chloroethoxy)ethyl]-1-methylimidazole-4-sulfonamide
CID 65033847
N-[2-(2-bromoethoxy)ethyl]-1-methylimidazole-4-sulfonamide
CID 114295998
N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 106846497

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pentylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-pentylimidazole-4-sulfonamide (CID 18961136) is 1-methyl-N-pentylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-pentylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-pentylimidazole-4-sulfonamide is CCCCCNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-N-pentylimidazole-4-sulfonamide?
The InChIKey is PSDDWCRIXPKYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-4-5-6-11-15(13,14)9-7-12(2)8-10-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-methyl-N-pentylimidazole-4-sulfonamide?
1-methyl-N-pentylimidazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pentylimidazole-4-sulfonamide is sourced from PubChem (CID 18961136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).