N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C14H27N3O4S — CID 51074901

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCN1S(C)(=O)=O)N1CCOCC1
InChIInChI=1S/C14H27N3O4S/c1-14(2,16-7-9-21-10-8-16)11-15-13(18)12-5-4-6-17(12)22(3,19)20/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyPEBUOMPJIJCYIV-UHFFFAOYSA-N
MW333.45 g/mol
LogP-0.36
Rot. Bonds5

About N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51074901) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID51074901
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCN1S(C)(=O)=O)N1CCOCC1
InChIInChI=1S/C14H27N3O4S/c1-14(2,16-7-9-21-10-8-16)11-15-13(18)12-5-4-6-17(12)22(3,19)20/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyPEBUOMPJIJCYIV-UHFFFAOYSA-N
XLogP-0.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 51074901) is N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide is CC(C)(CNC(=O)C1CCCN1S(C)(=O)=O)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is PEBUOMPJIJCYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-14(2,16-7-9-21-10-8-16)11-15-13(18)12-5-4-6-17(12)22(3,19)20/h12H,4-11H2,1-3H3,(H,15,18).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 333.45 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51074901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).