N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide

C16H23N3O4S — CID 7280249

IUPACN'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H23N3O4S/c1-17-15(20)16(21)18-11-10-13-7-5-6-12-19(13)24(22,23)14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeySVDBJJSXVHVPOL-ZDUSSCGKSA-N
MW353.44 g/mol
LogP0.48
Rot. Bonds5

About N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide

N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide (PubChem CID 7280249) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
PubChem CID7280249
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H23N3O4S/c1-17-15(20)16(21)18-11-10-13-7-5-6-12-19(13)24(22,23)14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeySVDBJJSXVHVPOL-ZDUSSCGKSA-N
XLogP0.48
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280451
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-benzyloxamide
CID 41193896
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 41194113
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(4-fluorophenyl)oxamide
CID 41194131
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 41194254
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 18574283
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
CID 18574278
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 41194125
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7280185
1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea
CID 7280148
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(2-methoxyphenyl)ethyl]oxamide
CID 16829673
N'-benzyl-N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195957

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide?
The IUPAC name of N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide (CID 7280249) is N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide.
What is the SMILES notation for N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide?
The canonical SMILES for N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide is CNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide?
The InChIKey is SVDBJJSXVHVPOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-17-15(20)16(21)18-11-10-13-7-5-6-12-19(13)24(22,23)14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3,(H,17,20)(H,18,21)/t13-/m0/s1.
What are the key properties of N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide?
N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide has a molecular weight of 353.44 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide is sourced from PubChem (CID 7280249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).