1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide

C11H22N2O4S — CID 4285717

IUPAC1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCOC)C1
InChIInChI=1S/C11H22N2O4S/c1-3-18(15,16)13-7-4-5-10(9-13)11(14)12-6-8-17-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyCMVCHKCHYIQVCK-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.19
Rot. Bonds6

About 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide

1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 4285717) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID4285717
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCOC)C1
InChIInChI=1S/C11H22N2O4S/c1-3-18(15,16)13-7-4-5-10(9-13)11(14)12-6-8-17-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyCMVCHKCHYIQVCK-UHFFFAOYSA-N
XLogP-0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.19
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 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 4285717) is 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCCOC)C1.
What is the InChIKey of 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is CMVCHKCHYIQVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-18(15,16)13-7-4-5-10(9-13)11(14)12-6-8-17-2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 278.37 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 4285717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).