N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide

C9H14N4O2S — CID 62062274

IUPACN-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CCC#N)cn1C
InChIInChI=1S/C9H14N4O2S/c1-8-11-9(7-12(8)2)16(14,15)13(3)6-4-5-10/h7H,4,6H2,1-3H3
InChIKeyAJMBOUDPCJJINM-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.26
Rot. Bonds4

About N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide

N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 62062274) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID62062274
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CCC#N)cn1C
InChIInChI=1S/C9H14N4O2S/c1-8-11-9(7-12(8)2)16(14,15)13(3)6-4-5-10/h7H,4,6H2,1-3H3
InChIKeyAJMBOUDPCJJINM-UHFFFAOYSA-N
XLogP0.26
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]propanoate
CID 62062662
N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62960505
N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide
CID 131931916
N-(3-cyanopropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62667388
methyl 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]acetate
CID 55030482
N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62064623
N-(cyanomethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide
CID 62064624
N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62981552
N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062589
N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide
CID 62061368
2-[carboxymethyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 63646589
N,1,2-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]imidazole-4-sulfonamide
CID 131951567

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide (CID 62062274) is N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)CCC#N)cn1C.
What is the InChIKey of N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is AJMBOUDPCJJINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-8-11-9(7-12(8)2)16(14,15)13(3)6-4-5-10/h7H,4,6H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide?
N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62062274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).