N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide

C10H16N4O2S — CID 62064623

IUPACN-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC#N)nc1C
InChIInChI=1S/C10H16N4O2S/c1-4-6-14-8-10(12-9(14)2)17(15,16)13(3)7-5-11/h8H,4,6-7H2,1-3H3
InChIKeyGCLKYMCZBFDSOS-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.75
Rot. Bonds5

About N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide

N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide (PubChem CID 62064623) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
PubChem CID62064623
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC#N)nc1C
InChIInChI=1S/C10H16N4O2S/c1-4-6-14-8-10(12-9(14)2)17(15,16)13(3)7-5-11/h8H,4,6-7H2,1-3H3
InChIKeyGCLKYMCZBFDSOS-UHFFFAOYSA-N
XLogP0.75
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide (CID 62064623) is N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)CC#N)nc1C.
What is the InChIKey of N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The InChIKey is GCLKYMCZBFDSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-4-6-14-8-10(12-9(14)2)17(15,16)13(3)7-5-11/h8H,4,6-7H2,1-3H3.
What are the key properties of N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62064623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).