N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide

C10H20N2O4S — CID 71805732

IUPACN-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-16-8-5-11-10(13)12-6-3-9(4-7-12)17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyIZNJGRPKFZWLLB-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.15
Rot. Bonds4

About N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide

N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide (PubChem CID 71805732) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide
PubChem CID71805732
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-16-8-5-11-10(13)12-6-3-9(4-7-12)17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyIZNJGRPKFZWLLB-UHFFFAOYSA-N
XLogP-0.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.15
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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Related Compounds

1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 51084114
N-[2-(diethylsulfamoyl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
CID 72018561
3-methylsulfonyl-N-propan-2-ylpiperidine-1-carboxamide
CID 75458028
N-(2-fluoro-2-methylpropyl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
CID 138019924
N-(1,1-dioxidotetrahydrothiophen-3-yl)morpholine-4-carboxamide
CID 3706026
N-{[1-(methanesulfonylmethyl)cyclopropyl]methyl}-2-propylmorpholine-4-carboxamide
CID 126772100
N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
CID 2407952
N-[(3R)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
CID 6598147
N-[(1,1-dioxo-1lambda6-thiolan-3-yl)methyl]morpholine-4-carboxamide
CID 43828595
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 45814224
2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide
CID 47481643
1,1-Dimethyl-3-(2-morpholin-4-ylsulfonylethyl)urea
CID 49614515

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide (CID 71805732) is N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide is COCCNC(=O)N1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide?
The InChIKey is IZNJGRPKFZWLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-16-8-5-11-10(13)12-6-3-9(4-7-12)17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide?
N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide has a molecular weight of 264.35 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methylsulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 71805732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).