N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide

C11H25NO4S — CID 88991732

IUPACN-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide
SMILESCOC(CN(C)S(C)(=O)=O)OC(C)C(C)(C)C
InChIInChI=1S/C11H25NO4S/c1-9(11(2,3)4)16-10(15-6)8-12(5)17(7,13)14/h9-10H,8H2,1-7H3
InChIKeyUFBDBPKBASZUOK-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide

N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide (PubChem CID 88991732) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide
PubChem CID88991732
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC NameN-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide
SMILESCOC(CN(C)S(C)(=O)=O)OC(C)C(C)(C)C
InChIInChI=1S/C11H25NO4S/c1-9(11(2,3)4)16-10(15-6)8-12(5)17(7,13)14/h9-10H,8H2,1-7H3
InChIKeyUFBDBPKBASZUOK-UHFFFAOYSA-N
XLogP1.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide (CID 88991732) is N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide is COC(CN(C)S(C)(=O)=O)OC(C)C(C)(C)C.
What is the InChIKey of N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide?
The InChIKey is UFBDBPKBASZUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-9(11(2,3)4)16-10(15-6)8-12(5)17(7,13)14/h9-10H,8H2,1-7H3.
What are the key properties of N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide?
N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 88991732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).