N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C15H28N2O3S — CID 115881676

IUPACN-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H28N2O3S/c1-4-10-21(19,20)17-9-5-6-13(17)14(18)16-12-7-8-15(2,3)11-12/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyILQOZNMXOQJMLC-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.89
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 115881676) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID115881676
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H28N2O3S/c1-4-10-21(19,20)17-9-5-6-13(17)14(18)16-12-7-8-15(2,3)11-12/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyILQOZNMXOQJMLC-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 115881676) is N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is ILQOZNMXOQJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-4-10-21(19,20)17-9-5-6-13(17)14(18)16-12-7-8-15(2,3)11-12/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115881676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).