N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide

C11H22N2O4S — CID 82181995

IUPACN-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H22N2O4S/c1-17-7-6-13-11(14)9-18(15,16)8-10-2-4-12-5-3-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyIYSLRPBEKKZXGJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.84
Rot. Bonds7

About N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide

N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide (PubChem CID 82181995) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide
PubChem CID82181995
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H22N2O4S/c1-17-7-6-13-11(14)9-18(15,16)8-10-2-4-12-5-3-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyIYSLRPBEKKZXGJ-UHFFFAOYSA-N
XLogP-0.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82181706
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-piperidin-4-ylacetamide;dihydrochloride
CID 119871091
4-(2-methylprop-2-enylsulfonylmethyl)piperidine
CID 82182033
2-(cyanomethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82180952
N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide
CID 119930805
2-(azetidin-3-ylmethylsulfonyl)-N-(1-methoxypropan-2-yl)acetamide
CID 81196178
3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087
2-methoxyethyl N-(piperidin-4-ylmethyl)carbamate
CID 145158678
4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 82182564
N-(3-hydroxy-4-methoxybutyl)-3-piperidin-4-ylpropanamide
CID 106247359
N-(5-methoxypentyl)-2-pyrrolidin-3-ylacetamide
CID 104954739

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide (CID 82181995) is N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide is COCCNC(=O)CS(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide?
The InChIKey is IYSLRPBEKKZXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-17-7-6-13-11(14)9-18(15,16)8-10-2-4-12-5-3-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide?
N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide has a molecular weight of 278.37 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 82181995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).