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

C15H30N2O3S — CID 83037279

IUPACN-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)CC2CCNCC2)CCO1
InChIInChI=1S/C15H30N2O3S/c1-3-15(4-2)11-14(7-10-20-15)17-21(18,19)12-13-5-8-16-9-6-13/h13-14,16-17H,3-12H2,1-2H3
InChIKeyDBIVSPGMJNAONN-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.64
Rot. Bonds6

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

N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 83037279) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID83037279
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)CC2CCNCC2)CCO1
InChIInChI=1S/C15H30N2O3S/c1-3-15(4-2)11-14(7-10-20-15)17-21(18,19)12-13-5-8-16-9-6-13/h13-14,16-17H,3-12H2,1-2H3
InChIKeyDBIVSPGMJNAONN-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106075642
N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 83028887
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
CID 83033488
N-(2,2-diethyloxan-4-yl)-4-ethylpiperidine-2-carboxamide
CID 114429439
N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 102693289
N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 83035026
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
CID 115897078
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670
2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide
CID 83032578

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide (CID 83037279) is N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide is CCC1(CC)CC(NS(=O)(=O)CC2CCNCC2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is DBIVSPGMJNAONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-15(4-2)11-14(7-10-20-15)17-21(18,19)12-13-5-8-16-9-6-13/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide?
N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.64, 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-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 83037279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).