N-methyl-N-(2-methylpropyl)ethanesulfonamide

C7H17NO2S — CID 59832909

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

About N-methyl-N-(2-methylpropyl)ethanesulfonamide

N-methyl-N-(2-methylpropyl)ethanesulfonamide (PubChem CID 59832909) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)ethanesulfonamide
PubChem CID59832909
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-methyl-N-(2-methylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(C)C
InChIInChI=1S/C7H17NO2S/c1-5-11(9,10)8(4)6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyARFCLYOACZBLAX-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-methyl-N-(2-methylpropyl)ethanesulfonamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)ethanesulfonamide (CID 59832909) is N-methyl-N-(2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)ethanesulfonamide is CCS(=O)(=O)N(C)CC(C)C.
What is the InChIKey of N-methyl-N-(2-methylpropyl)ethanesulfonamide?
The InChIKey is ARFCLYOACZBLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-11(9,10)8(4)6-7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylpropyl)ethanesulfonamide?
N-methyl-N-(2-methylpropyl)ethanesulfonamide 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-methyl-N-(2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 59832909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).