tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C15H24N4O4S — CID 59443999

IUPACtert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCN(C)S(=O)(=O)n1ccnc1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N4O4S/c1-15(2,3)23-14(20)18-9-6-12(7-10-18)13-16-8-11-19(13)24(21,22)17(4)5/h6,8,11H,7,9-10H2,1-5H3
InChIKeyQKOPDJWCZTZLDC-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.56
Rot. Bonds3

About tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 59443999) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID59443999
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Nametert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCN(C)S(=O)(=O)n1ccnc1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N4O4S/c1-15(2,3)23-14(20)18-9-6-12(7-10-18)13-16-8-11-19(13)24(21,22)17(4)5/h6,8,11H,7,9-10H2,1-5H3
InChIKeyQKOPDJWCZTZLDC-UHFFFAOYSA-N
XLogP1.56
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 59443999) is tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CN(C)S(=O)(=O)n1ccnc1C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is QKOPDJWCZTZLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-15(2,3)23-14(20)18-9-6-12(7-10-18)13-16-8-11-19(13)24(21,22)17(4)5/h6,8,11H,7,9-10H2,1-5H3.
What are the key properties of tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 356.45 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 59443999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).