2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide

C10H20N2O3S — CID 107094808

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCC1CCC=CO1
InChIInChI=1S/C10H20N2O3S/c1-2-12-16(13,14)8-6-11-9-10-5-3-4-7-15-10/h4,7,10-12H,2-3,5-6,8-9H2,1H3
InChIKeyVQNPJJYWTVMQRI-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.21
Rot. Bonds7

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide (PubChem CID 107094808) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide
PubChem CID107094808
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCC1CCC=CO1
InChIInChI=1S/C10H20N2O3S/c1-2-12-16(13,14)8-6-11-9-10-5-3-4-7-15-10/h4,7,10-12H,2-3,5-6,8-9H2,1H3
InChIKeyVQNPJJYWTVMQRI-UHFFFAOYSA-N
XLogP0.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
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 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide (CID 107094808) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide?
The InChIKey is VQNPJJYWTVMQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-12-16(13,14)8-6-11-9-10-5-3-4-7-15-10/h4,7,10-12H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide is sourced from PubChem (CID 107094808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).