2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide

C10H22N2O3S — CID 79043367

IUPAC2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCNC1C
InChIInChI=1S/C10H22N2O3S/c1-3-15-7-8-16(13,14)12-10-5-4-6-11-9(10)2/h9-12H,3-8H2,1-2H3
InChIKeySMJBKTVKJHUXEO-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.08
Rot. Bonds6

About 2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide

2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide (PubChem CID 79043367) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide
PubChem CID79043367
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCNC1C
InChIInChI=1S/C10H22N2O3S/c1-3-15-7-8-16(13,14)12-10-5-4-6-11-9(10)2/h9-12H,3-8H2,1-2H3
InChIKeySMJBKTVKJHUXEO-UHFFFAOYSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.08
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-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide (CID 79043367) is 2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide is CCOCCS(=O)(=O)NC1CCCNC1C.
What is the InChIKey of 2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide?
The InChIKey is SMJBKTVKJHUXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-15-7-8-16(13,14)12-10-5-4-6-11-9(10)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide?
2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 79043367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).