N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide

C10H16N4O2S — CID 62064978

IUPACN-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)C(C)C#N)nc1C
InChIInChI=1S/C10H16N4O2S/c1-5-14-7-10(12-9(14)3)17(15,16)13(4)8(2)6-11/h7-8H,5H2,1-4H3
InChIKeyCPNVQSQTDXVSLF-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.74
Rot. Bonds4

About N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide

N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide (PubChem CID 62064978) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide
PubChem CID62064978
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)C(C)C#N)nc1C
InChIInChI=1S/C10H16N4O2S/c1-5-14-7-10(12-9(14)3)17(15,16)13(4)8(2)6-11/h7-8H,5H2,1-4H3
InChIKeyCPNVQSQTDXVSLF-UHFFFAOYSA-N
XLogP0.74
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide (CID 62064978) is N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)C(C)C#N)nc1C.
What is the InChIKey of N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide?
The InChIKey is CPNVQSQTDXVSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-5-14-7-10(12-9(14)3)17(15,16)13(4)8(2)6-11/h7-8H,5H2,1-4H3.
What are the key properties of N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide?
N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62064978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).