N-ethyl-N-(2-methylpropyl)methanesulfonamide

C7H17NO2S — CID 60765389

IUPACN-ethyl-N-(2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)C)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-8(6-7(2)3)11(4,9)10/h7H,5-6H2,1-4H3
InChIKeyVKAUPUOOPOJGEW-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.92
Rot. Bonds4

About N-ethyl-N-(2-methylpropyl)methanesulfonamide

N-ethyl-N-(2-methylpropyl)methanesulfonamide (PubChem CID 60765389) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)methanesulfonamide
PubChem CID60765389
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-ethyl-N-(2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)C)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-8(6-7(2)3)11(4,9)10/h7H,5-6H2,1-4H3
InChIKeyVKAUPUOOPOJGEW-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)methanesulfonamide (CID 60765389) is N-ethyl-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)methanesulfonamide is CCN(CC(C)C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is VKAUPUOOPOJGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-8(6-7(2)3)11(4,9)10/h7H,5-6H2,1-4H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)methanesulfonamide?
N-ethyl-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 60765389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).