2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide

C11H26N2O3S — CID 56722886

IUPAC2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCOC(C)(C)CC(C)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H26N2O3S/c1-10(9-11(2,3)16-6)12-7-8-17(14,15)13(4)5/h10,12H,7-9H2,1-6H3
InChIKeySPQVBMLZLFHLPW-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.67
Rot. Bonds8

About 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide

2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 56722886) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID56722886
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC Name2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCOC(C)(C)CC(C)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H26N2O3S/c1-10(9-11(2,3)16-6)12-7-8-17(14,15)13(4)5/h10,12H,7-9H2,1-6H3
InChIKeySPQVBMLZLFHLPW-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide with MolForge

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Related Compounds

N-(3-methoxy-1,3-dimethylbutyl)-1-(methylsulfonyl)piperidin-4-amine
CID 43628711
N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
CID 43146974
1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine
CID 43147235
N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide
CID 43147237
2-[(4-Methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 43551690
N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine
CID 43614802
N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43679665
N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine
CID 43747924
N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide
CID 54903343
N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 54915641
N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 55256182
4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920039

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide (CID 56722886) is 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide is COC(C)(C)CC(C)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is SPQVBMLZLFHLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-10(9-11(2,3)16-6)12-7-8-17(14,15)13(4)5/h10,12H,7-9H2,1-6H3.
What are the key properties of 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 56722886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).