N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide

C11H24N2O3S — CID 55172689

IUPACN-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)CCCOC
InChIInChI=1S/C11H24N2O3S/c1-3-13(11-5-7-12-8-6-11)17(14,15)10-4-9-16-2/h11-12H,3-10H2,1-2H3
InChIKeyDRNSKNWHKQGSEK-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds7

About N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide

N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide (PubChem CID 55172689) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide
PubChem CID55172689
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)CCCOC
InChIInChI=1S/C11H24N2O3S/c1-3-13(11-5-7-12-8-6-11)17(14,15)10-4-9-16-2/h11-12H,3-10H2,1-2H3
InChIKeyDRNSKNWHKQGSEK-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide?
The IUPAC name of N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide (CID 55172689) is N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide?
The canonical SMILES for N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide is CCN(C1CCNCC1)S(=O)(=O)CCCOC.
What is the InChIKey of N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide?
The InChIKey is DRNSKNWHKQGSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-13(11-5-7-12-8-6-11)17(14,15)10-4-9-16-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide?
N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide is sourced from PubChem (CID 55172689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).