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

C11H18N4O3S — CID 63939289

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-14(8-10-12-5-6-13-10)11(16)9-4-3-7-15(9)19(2,17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyORJKZQOJCIHMRU-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.21
Rot. Bonds4

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

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 63939289) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID63939289
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-14(8-10-12-5-6-13-10)11(16)9-4-3-7-15(9)19(2,17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyORJKZQOJCIHMRU-UHFFFAOYSA-N
XLogP-0.21
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.21
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-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (CID 63939289) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is ORJKZQOJCIHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-14(8-10-12-5-6-13-10)11(16)9-4-3-7-15(9)19(2,17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.21, 4 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-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 63939289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).