N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

C13H27N3O3S — CID 113150088

IUPACN-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCN(C)CCCN(CC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-14(2)8-7-11-16(20(3,18)19)12-13(17)15-9-5-4-6-10-15/h4-12H2,1-3H3
InChIKeyGRNLBGJYDXXPGJ-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.21
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 113150088) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID113150088
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCN(C)CCCN(CC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-14(2)8-7-11-16(20(3,18)19)12-13(17)15-9-5-4-6-10-15/h4-12H2,1-3H3
InChIKeyGRNLBGJYDXXPGJ-UHFFFAOYSA-N
XLogP0.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propylmethanesulfonamide
CID 113147458
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
CID 113153265
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113152545
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
CID 113147930
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
3-[3-(dimethylamino)propyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82327001
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
1-(1,4-diazepan-1-yl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 55226180
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide
CID 102976075
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide
CID 113152914

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 113150088) is N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is CN(C)CCCN(CC(=O)N1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is GRNLBGJYDXXPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-14(2)8-7-11-16(20(3,18)19)12-13(17)15-9-5-4-6-10-15/h4-12H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 113150088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).