N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide

C13H25N3O4S — CID 131910183

IUPACN-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCN(CCNC(=O)CCCN1CCCCC1=O)S(C)(=O)=O
InChIInChI=1S/C13H25N3O4S/c1-15(21(2,19)20)11-8-14-12(17)6-5-10-16-9-4-3-7-13(16)18/h3-11H2,1-2H3,(H,14,17)
InChIKeyURRZXBMYZZHFKB-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.21
Rot. Bonds8

About N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide

N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 131910183) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID131910183
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCN(CCNC(=O)CCCN1CCCCC1=O)S(C)(=O)=O
InChIInChI=1S/C13H25N3O4S/c1-15(21(2,19)20)11-8-14-12(17)6-5-10-16-9-4-3-7-13(16)18/h3-11H2,1-2H3,(H,14,17)
InChIKeyURRZXBMYZZHFKB-UHFFFAOYSA-N
XLogP-0.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
7-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]heptanamide
CID 119671569
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
2-[methyl-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]amino]propanoic acid;hydrochloride
CID 119913641
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131908174

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide (CID 131910183) is N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide is CN(CCNC(=O)CCCN1CCCCC1=O)S(C)(=O)=O.
What is the InChIKey of N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is URRZXBMYZZHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-15(21(2,19)20)11-8-14-12(17)6-5-10-16-9-4-3-7-13(16)18/h3-11H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 319.43 g/mol, XLogP of -0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 131910183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).