2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide

C9H22N2O3S — CID 43551690

IUPAC2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
SMILESCOC(C)(C)CC(C)NCCS(N)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-8(7-9(2,3)14-4)11-5-6-15(10,12)13/h8,11H,5-7H2,1-4H3,(H2,10,12,13)
InChIKeySLWRJNDHIOCYOD-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.07
Rot. Bonds7

About 2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide

2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide (PubChem CID 43551690) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
PubChem CID43551690
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
SMILESCOC(C)(C)CC(C)NCCS(N)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-8(7-9(2,3)14-4)11-5-6-15(10,12)13/h8,11H,5-7H2,1-4H3,(H2,10,12,13)
InChIKeySLWRJNDHIOCYOD-UHFFFAOYSA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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
2-[(3-methoxy-1,3-dimethylbutyl)amino]-N,N-dimethylethanesulfonamide
CID 56722886
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]ethanesulfonamide?
The IUPAC name of 2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide (CID 43551690) is 2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide is COC(C)(C)CC(C)NCCS(N)(=O)=O.
What is the InChIKey of 2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide?
The InChIKey is SLWRJNDHIOCYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-8(7-9(2,3)14-4)11-5-6-15(10,12)13/h8,11H,5-7H2,1-4H3,(H2,10,12,13).
What are the key properties of 2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide?
2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide has a molecular weight of 238.35 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 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]ethanesulfonamide is sourced from PubChem (CID 43551690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).