N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide

C9H22N2O3S — CID 79593859

IUPACN-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide
SMILESCNCCN(C)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H22N2O3S/c1-9(2)14-7-8-15(12,13)11(4)6-5-10-3/h9-10H,5-8H2,1-4H3
InChIKeyTWSJYJFGGGRXPI-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.11
Rot. Bonds8

About N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide

N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79593859) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79593859
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide
SMILESCNCCN(C)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H22N2O3S/c1-9(2)14-7-8-15(12,13)11(4)6-5-10-3/h9-10H,5-8H2,1-4H3
InChIKeyTWSJYJFGGGRXPI-UHFFFAOYSA-N
XLogP-0.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide (CID 79593859) is N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide is CNCCN(C)S(=O)(=O)CCOC(C)C.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is TWSJYJFGGGRXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-9(2)14-7-8-15(12,13)11(4)6-5-10-3/h9-10H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide?
N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79593859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).