N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide

C9H14N4O2S — CID 62374956

IUPACN-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H14N4O2S/c1-3-4-8(5-10)12-16(14,15)9-6-13(2)7-11-9/h6-8,12H,3-4H2,1-2H3
InChIKeyXRGFPNRGZLRZHM-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.39
Rot. Bonds5

About N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide

N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide (PubChem CID 62374956) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide
PubChem CID62374956
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H14N4O2S/c1-3-4-8(5-10)12-16(14,15)9-6-13(2)7-11-9/h6-8,12H,3-4H2,1-2H3
InChIKeyXRGFPNRGZLRZHM-UHFFFAOYSA-N
XLogP0.39
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanopropyl)-1-ethylimidazole-4-sulfonamide
CID 79372678
2-[(1-methylimidazol-4-yl)sulfonylamino]pentanethioamide
CID 55068751
1-methyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
CID 115662679
N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide
CID 97225498
2-[(1-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 62374949
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide
CID 79256266
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
(2S)-2-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 78989396
N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide
CID 61123860
N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide
CID 79373993
N-(1-cyanobutyl)ethanesulfonamide
CID 61125057
1-methyl-N-(2-methylbutan-2-yl)imidazole-4-sulfonamide
CID 46345219

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide (CID 62374956) is N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide is CCCC(C#N)NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is XRGFPNRGZLRZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-3-4-8(5-10)12-16(14,15)9-6-13(2)7-11-9/h6-8,12H,3-4H2,1-2H3.
What are the key properties of N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide?
N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62374956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).