2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide

C12H24N2O3S — CID 84586007

IUPAC2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide
SMILESCCC1(C)CCCN(C(=O)CS(=O)(=O)NC)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-12(2)6-5-8-14(9-7-12)11(15)10-18(16,17)13-3/h13H,4-10H2,1-3H3
InChIKeyLJOIUPNHAKNLLA-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.96
Rot. Bonds4

About 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide

2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide (PubChem CID 84586007) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide
PubChem CID84586007
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide
SMILESCCC1(C)CCCN(C(=O)CS(=O)(=O)NC)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-12(2)6-5-8-14(9-7-12)11(15)10-18(16,17)13-3/h13H,4-10H2,1-3H3
InChIKeyLJOIUPNHAKNLLA-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
N-methyl-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide
CID 136538492
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 134168414
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone
CID 63159977
1-[4-(hydroxymethyl)-4-methylazepan-1-yl]pentan-1-one
CID 175951578
azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 118447951
ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
CID 62614238
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232
1-(4-ethyl-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 112688285
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide
CID 136582285

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide?
The IUPAC name of 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide (CID 84586007) is 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide is CCC1(C)CCCN(C(=O)CS(=O)(=O)NC)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide?
The InChIKey is LJOIUPNHAKNLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-12(2)6-5-8-14(9-7-12)11(15)10-18(16,17)13-3/h13H,4-10H2,1-3H3.
What are the key properties of 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide?
2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide is sourced from PubChem (CID 84586007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).