N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide

C12H24N2O3S — CID 55174694

IUPACN-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H24N2O3S/c1-2-14(11-5-7-13-8-6-11)18(15,16)10-12-4-3-9-17-12/h11-13H,2-10H2,1H3
InChIKeyXKSYSSKODZDOMD-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.57
Rot. Bonds5

About N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide

N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide (PubChem CID 55174694) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide
PubChem CID55174694
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H24N2O3S/c1-2-14(11-5-7-13-8-6-11)18(15,16)10-12-4-3-9-17-12/h11-13H,2-10H2,1H3
InChIKeyXKSYSSKODZDOMD-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide (CID 55174694) is N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide is CCN(C1CCNCC1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is XKSYSSKODZDOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-14(11-5-7-13-8-6-11)18(15,16)10-12-4-3-9-17-12/h11-13H,2-10H2,1H3.
What are the key properties of N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide?
N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 55174694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).