N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide

C10H23NO2S — CID 58573308

IUPACN-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide
SMILESCCC(CN(C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-7-9(10(2,3)4)8-11(5)14(6,12)13/h9H,7-8H2,1-6H3
InChIKeyNGPBKMRNBBMKNP-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.95
Rot. Bonds4

About N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide

N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide (PubChem CID 58573308) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide
PubChem CID58573308
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide
SMILESCCC(CN(C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-7-9(10(2,3)4)8-11(5)14(6,12)13/h9H,7-8H2,1-6H3
InChIKeyNGPBKMRNBBMKNP-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573076
N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573607
N-tert-butyl-N-[3-(fluoromethyl)-4,4-dimethylpentyl]methanesulfonamide
CID 88980747
3-Tert-butyl-1-methylsulfonylpyrrolidine
CID 20792959
4-Tert-butyl-1-methylsulfonylazepane
CID 56791568
(3S)-3-tert-butyl-1-methylsulfonylpyrrolidine
CID 57564212
N-(3,3-dimethylbutyl)-N-methylmethanesulfonamide
CID 57819419
1-Methylsulfonyl-3,3-di(propan-2-yl)azetidine
CID 57822233
4-Methyl-1-methylsulfonyl-4-propan-2-ylpiperidine
CID 58394577
N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide
CID 58469884
N-(2-ethyl-3,3-dimethylbutyl)-N-methylcyclopropanesulfonamide
CID 58573065
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylcyclopropanesulfonamide
CID 58573146

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide (CID 58573308) is N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide is CCC(CN(C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide?
The InChIKey is NGPBKMRNBBMKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-7-9(10(2,3)4)8-11(5)14(6,12)13/h9H,7-8H2,1-6H3.
What are the key properties of N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide?
N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 58573308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).