2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide

C14H28N2O3S — CID 95933167

IUPAC2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1C[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C14H28N2O3S/c1-5-15(6-2)20(18,19)11-14(17)16-10-12(3)8-7-9-13(16)4/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyJKDFTIQNMVDZBP-OLZOCXBDSA-N
MW304.46 g/mol
LogP1.70
Rot. Bonds5

About 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide

2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide (PubChem CID 95933167) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide
PubChem CID95933167
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1C[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C14H28N2O3S/c1-5-15(6-2)20(18,19)11-14(17)16-10-12(3)8-7-9-13(16)4/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyJKDFTIQNMVDZBP-OLZOCXBDSA-N
XLogP1.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111540286
N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride
CID 119473658
2-(cyclopropylmethylamino)-1-(2,6-dimethylazepan-1-yl)ethanone;hydrochloride
CID 119792028
2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride
CID 119381858
N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide
CID 119493899
2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 95351505
1-(2,6-dimethylazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119792047
1-[(2S,5R)-2,5-dimethylpiperidin-1-yl]-3-methylbutan-1-one
CID 118357209
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide
CID 95903641
1-(2,6-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119792033
1-[(2R,6R)-2,6-dimethylazepan-1-yl]-5-[(3R)-dithiolan-3-yl]pentan-1-one
CID 99811073

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide (CID 95933167) is 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide is CCN(CC)S(=O)(=O)CC(=O)N1C[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide?
The InChIKey is JKDFTIQNMVDZBP-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-5-15(6-2)20(18,19)11-14(17)16-10-12(3)8-7-9-13(16)4/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide?
2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylazepan-1-yl]-N,N-diethyl-2-oxoethanesulfonamide is sourced from PubChem (CID 95933167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).