N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide

C8H19NO4S — CID 88991713

IUPACN-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide
SMILESCO[C@@H](CN(C)S(C)(=O)=O)OC(C)C
InChIInChI=1S/C8H19NO4S/c1-7(2)13-8(12-4)6-9(3)14(5,10)11/h7-8H,6H2,1-5H3/t8-/m1/s1
InChIKeyZHJBNCIJYOAUME-MRVPVSSYSA-N
MW225.31 g/mol
LogP0.28
Rot. Bonds6

About N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide

N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide (PubChem CID 88991713) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide
PubChem CID88991713
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC NameN-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide
SMILESCO[C@@H](CN(C)S(C)(=O)=O)OC(C)C
InChIInChI=1S/C8H19NO4S/c1-7(2)13-8(12-4)6-9(3)14(5,10)11/h7-8H,6H2,1-5H3/t8-/m1/s1
InChIKeyZHJBNCIJYOAUME-MRVPVSSYSA-N
XLogP0.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 50.28
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-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide (CID 88991713) is N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide is CO[C@@H](CN(C)S(C)(=O)=O)OC(C)C.
What is the InChIKey of N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide?
The InChIKey is ZHJBNCIJYOAUME-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-7(2)13-8(12-4)6-9(3)14(5,10)11/h7-8H,6H2,1-5H3/t8-/m1/s1.
What are the key properties of N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide?
N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide has a molecular weight of 225.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-propan-2-yloxyethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 88991713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).