2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide

C9H18N2O4S — CID 47403795

IUPAC2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCOCC(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O4S/c1-15-7-9(12)10-8-4-3-5-11(6-8)16(2,13)14/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyFRLRLYHZFFUKNU-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.83
Rot. Bonds4

About 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide

2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide (PubChem CID 47403795) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
PubChem CID47403795
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCOCC(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O4S/c1-15-7-9(12)10-8-4-3-5-11(6-8)16(2,13)14/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyFRLRLYHZFFUKNU-UHFFFAOYSA-N
XLogP-0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909972
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47910189
2-(cyanomethylsulfanyl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47908698
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909871
4-(2,5-dimethylphenyl)-N-(1-methylsulfonylpiperidin-3-yl)-4-oxobutanamide
CID 47909955
3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
CID 47766211
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The IUPAC name of 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide (CID 47403795) is 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide is COCC(=O)NC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The InChIKey is FRLRLYHZFFUKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-15-7-9(12)10-8-4-3-5-11(6-8)16(2,13)14/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide has a molecular weight of 250.32 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide is sourced from PubChem (CID 47403795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).