N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide

C14H28N2O3S — CID 83029325

IUPACN-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)CC2CCCN2)CCO1
InChIInChI=1S/C14H28N2O3S/c1-3-14(4-2)10-12(7-9-19-14)16-20(17,18)11-13-6-5-8-15-13/h12-13,15-16H,3-11H2,1-2H3
InChIKeyVAROCNCFIHWLTG-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.40
Rot. Bonds6

About N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 83029325) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID83029325
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)CC2CCCN2)CCO1
InChIInChI=1S/C14H28N2O3S/c1-3-14(4-2)10-12(7-9-19-14)16-20(17,18)11-13-6-5-8-15-13/h12-13,15-16H,3-11H2,1-2H3
InChIKeyVAROCNCFIHWLTG-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 83029325) is N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide is CCC1(CC)CC(NS(=O)(=O)CC2CCCN2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is VAROCNCFIHWLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-14(4-2)10-12(7-9-19-14)16-20(17,18)11-13-6-5-8-15-13/h12-13,15-16H,3-11H2,1-2H3.
What are the key properties of N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 83029325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).