N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide

C14H26N2O3S — CID 51075367

IUPACN-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3S/c1-2-11-20(18,19)16-10-6-9-13(16)14(17)15-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyIXDMHWMZFOZDNA-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.64
Rot. Bonds5

About N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide

N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51075367) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID51075367
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3S/c1-2-11-20(18,19)16-10-6-9-13(16)14(17)15-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyIXDMHWMZFOZDNA-UHFFFAOYSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide (CID 51075367) is N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IXDMHWMZFOZDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-11-20(18,19)16-10-6-9-13(16)14(17)15-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide?
N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51075367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).