N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide

C11H23N3O3S — CID 43545989

IUPACN-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)C(=O)N1CCCCC1
InChIInChI=1S/C11H23N3O3S/c1-10(12-6-7-13-18(2,16)17)11(15)14-8-4-3-5-9-14/h10,12-13H,3-9H2,1-2H3
InChIKeyMTQRYAVESPCSAM-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.47
Rot. Bonds6

About N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 43545989) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID43545989
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)C(=O)N1CCCCC1
InChIInChI=1S/C11H23N3O3S/c1-10(12-6-7-13-18(2,16)17)11(15)14-8-4-3-5-9-14/h10,12-13H,3-9H2,1-2H3
InChIKeyMTQRYAVESPCSAM-UHFFFAOYSA-N
XLogP-0.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
N-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397982
2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide
CID 63859159
N-[(3R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]hexyl]methanesulfonamide
CID 57237647
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
CID 103262840
2-(2-morpholin-4-ylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083600
1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 115518643
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide (CID 43545989) is N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide is CC(NCCNS(C)(=O)=O)C(=O)N1CCCCC1.
What is the InChIKey of N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is MTQRYAVESPCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-10(12-6-7-13-18(2,16)17)11(15)14-8-4-3-5-9-14/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 43545989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).