N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide

C13H22N4O3S — CID 63931259

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H22N4O3S/c1-3-9-21(19,20)17-8-4-5-11(17)13(18)16(2)10-12-14-6-7-15-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyIKCGAMZPQXNJIM-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.57
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 63931259) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID63931259
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H22N4O3S/c1-3-9-21(19,20)17-8-4-5-11(17)13(18)16(2)10-12-14-6-7-15-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyIKCGAMZPQXNJIM-UHFFFAOYSA-N
XLogP0.57
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide (CID 63931259) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IKCGAMZPQXNJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-9-21(19,20)17-8-4-5-11(17)13(18)16(2)10-12-14-6-7-15-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 63931259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).