N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide

C13H26N2O4S — CID 97325419

IUPACN-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide
SMILESCO[C@@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1
InChIInChI=1S/C13H26N2O4S/c1-13(2,3)11(14-20(5,17)18)12(16)15-8-6-7-10(9-15)19-4/h10-11,14H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyMZIISMXSEUMGGC-GHMZBOCLSA-N
MW306.43 g/mol
LogP0.59
Rot. Bonds4

About N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide

N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide (PubChem CID 97325419) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide
PubChem CID97325419
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide
SMILESCO[C@@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1
InChIInChI=1S/C13H26N2O4S/c1-13(2,3)11(14-20(5,17)18)12(16)15-8-6-7-10(9-15)19-4/h10-11,14H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyMZIISMXSEUMGGC-GHMZBOCLSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide with MolForge

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Related Compounds

(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
CID 129410228
2-bromo-1-(3-methoxypiperidin-1-yl)butan-1-one
CID 102956877
2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid
CID 120515338
3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 102963041
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103532865
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
CID 102957635
4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid
CID 120528076
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
(2S)-1-[(3R)-3-ethoxypiperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95191999
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide (CID 97325419) is N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide is CO[C@@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1.
What is the InChIKey of N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide?
The InChIKey is MZIISMXSEUMGGC-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-13(2,3)11(14-20(5,17)18)12(16)15-8-6-7-10(9-15)19-4/h10-11,14H,6-9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide?
N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide is sourced from PubChem (CID 97325419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).