ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate

C10H21NO4S — CID 164926231

IUPACethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate
SMILESCCOS(=O)(=O)CCOCC1CCCCN1
InChIInChI=1S/C10H21NO4S/c1-2-15-16(12,13)8-7-14-9-10-5-3-4-6-11-10/h10-11H,2-9H2,1H3
InChIKeyMSAJCXVFSGGEBI-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.51
Rot. Bonds7

About ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate

ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate (PubChem CID 164926231) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate.

Molecular Properties

Compound Nameethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate
PubChem CID164926231
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate
SMILESCCOS(=O)(=O)CCOCC1CCCCN1
InChIInChI=1S/C10H21NO4S/c1-2-15-16(12,13)8-7-14-9-10-5-3-4-6-11-10/h10-11H,2-9H2,1H3
InChIKeyMSAJCXVFSGGEBI-UHFFFAOYSA-N
XLogP0.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate?
The IUPAC name of ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate (CID 164926231) is ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate.
What is the SMILES notation for ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate?
The canonical SMILES for ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate is CCOS(=O)(=O)CCOCC1CCCCN1.
What is the InChIKey of ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate?
The InChIKey is MSAJCXVFSGGEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-2-15-16(12,13)8-7-14-9-10-5-3-4-6-11-10/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate?
ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate has a molecular weight of 251.35 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(piperidin-2-ylmethoxy)ethanesulfonate is sourced from PubChem (CID 164926231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).