N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide

C12H26N2O4S2 — CID 138017930

IUPACN-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide
SMILESCCN(CC(C)(C)C)S(=O)(=O)CC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O4S2/c1-6-13(10-12(2,3)4)20(17,18)9-11-7-14(8-11)19(5,15)16/h11H,6-10H2,1-5H3
InChIKeyONKZNDIQPAYDDA-UHFFFAOYSA-N
MW326.48 g/mol
LogP0.58
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide

N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide (PubChem CID 138017930) has the molecular formula C12H26N2O4S2 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide
PubChem CID138017930
Molecular FormulaC12H26N2O4S2
Molecular Weight326.48 g/mol
Exact Mass326.13
IUPAC NameN-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide
SMILESCCN(CC(C)(C)C)S(=O)(=O)CC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C12H26N2O4S2/c1-6-13(10-12(2,3)4)20(17,18)9-11-7-14(8-11)19(5,15)16/h11H,6-10H2,1-5H3
InChIKeyONKZNDIQPAYDDA-UHFFFAOYSA-N
XLogP0.58
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79387330
N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide
CID 154784732
1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide
CID 115024927
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
1-[ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 115278735
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 79387072
3-N,3-N-diethyl-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butane-2,3-diamine
CID 79619573
8-(2-methylbutan-2-yl)-3-methylsulfonyl-3-azabicyclo[3.2.1]octane
CID 167170552
N,N-diethyl-3-hydroxyazetidine-1-sulfonamide
CID 63106993
4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid
CID 58557810
5-tert-butyl-3-[(1-methylsulfonylazetidin-3-yl)methyl]-2H-1,3-thiazole
CID 141227981

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide (CID 138017930) is N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide is CCN(CC(C)(C)C)S(=O)(=O)CC1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide?
The InChIKey is ONKZNDIQPAYDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S2/c1-6-13(10-12(2,3)4)20(17,18)9-11-7-14(8-11)19(5,15)16/h11H,6-10H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide?
N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide has a molecular weight of 326.48 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-ethyl-1-(1-methylsulfonylazetidin-3-yl)methanesulfonamide is sourced from PubChem (CID 138017930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).