N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

C14H24N4O3S2 — CID 100566599

IUPACN-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1
InChIInChI=1S/C14H24N4O3S2/c1-14(2,3)11(19)16-12-17-18-13(22-12)23(20,21)15-9-10-7-5-4-6-8-10/h10,15H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyVHOZMQLRJOSEAU-UHFFFAOYSA-N
MW360.51 g/mol
LogP2.38
Rot. Bonds5

About N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 100566599) has the molecular formula C14H24N4O3S2 and a molecular weight of 360.51 g/mol. Its IUPAC name is N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID100566599
Molecular FormulaC14H24N4O3S2
Molecular Weight360.51 g/mol
Exact Mass360.13
IUPAC NameN-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1
InChIInChI=1S/C14H24N4O3S2/c1-14(2,3)11(19)16-12-17-18-13(22-12)23(20,21)15-9-10-7-5-4-6-8-10/h10,15H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyVHOZMQLRJOSEAU-UHFFFAOYSA-N
XLogP2.38
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (CID 100566599) is N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1.
What is the InChIKey of N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is VHOZMQLRJOSEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S2/c1-14(2,3)11(19)16-12-17-18-13(22-12)23(20,21)15-9-10-7-5-4-6-8-10/h10,15H,4-9H2,1-3H3,(H,16,17,19).
What are the key properties of N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 360.51 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 100566599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).