2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide

C11H23N3O4S — CID 95142904

IUPAC2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O4S/c1-18-7-5-12-11(15)9-14-6-3-4-10(8-14)13-19(2,16)17/h10,13H,3-9H2,1-2H3,(H,12,15)/t10-/m1/s1
InChIKeyCQVSZIIZQGOULH-SNVBAGLBSA-N
MW293.39 g/mol
LogP-1.24
Rot. Bonds7

About 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide

2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 95142904) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID95142904
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O4S/c1-18-7-5-12-11(15)9-14-6-3-4-10(8-14)13-19(2,16)17/h10,13H,3-9H2,1-2H3,(H,12,15)/t10-/m1/s1
InChIKeyCQVSZIIZQGOULH-SNVBAGLBSA-N
XLogP-1.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-1.24
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

methyl 4-[[2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]acetyl]amino]butanoate
CID 95275410
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
N-(2-ethoxyethyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919895
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 163352401
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
N-(2-methoxyethylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170639
N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide
CID 99828747
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 100842533

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 95142904) is 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1.
What is the InChIKey of 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is CQVSZIIZQGOULH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-18-7-5-12-11(15)9-14-6-3-4-10(8-14)13-19(2,16)17/h10,13H,3-9H2,1-2H3,(H,12,15)/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 293.39 g/mol, XLogP of -1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 95142904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).