N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide

C16H32N2O3S — CID 57237647

IUPACN-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide
SMILESCC(C)C[C@H](CCNS(C)(=O)=O)[C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C16H32N2O3S/c1-13(2)12-15(8-9-17-22(4,20)21)14(3)16(19)18-10-6-5-7-11-18/h13-15,17H,5-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyPPARJKCYPKNBNC-GJZGRUSLSA-N
MW332.51 g/mol
LogP2.24
Rot. Bonds8

About N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide

N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide (PubChem CID 57237647) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide
PubChem CID57237647
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC NameN-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide
SMILESCC(C)C[C@H](CCNS(C)(=O)=O)[C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C16H32N2O3S/c1-13(2)12-15(8-9-17-22(4,20)21)14(3)16(19)18-10-6-5-7-11-18/h13-15,17H,5-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyPPARJKCYPKNBNC-GJZGRUSLSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide
CID 43545989
N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
(2S)-2-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 71425574
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
N-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide
CID 86842577
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
CID 97313843
(2S)-2,4-dimethylpentanoic acid;(2S)-2,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 161488087

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide?
The IUPAC name of N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide (CID 57237647) is N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide?
The canonical SMILES for N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide is CC(C)C[C@H](CCNS(C)(=O)=O)[C@H](C)C(=O)N1CCCCC1.
What is the InChIKey of N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide?
The InChIKey is PPARJKCYPKNBNC-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-13(2)12-15(8-9-17-22(4,20)21)14(3)16(19)18-10-6-5-7-11-18/h13-15,17H,5-12H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide?
N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide has a molecular weight of 332.51 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide is sourced from PubChem (CID 57237647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).