N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide

C7H17NO3S — CID 79386962

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C7H17NO3S/c1-5-12(10,11)8(4)6-7(2,3)9/h9H,5-6H2,1-4H3
InChIKeyIXZDVEZLINWQLA-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.04
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide (PubChem CID 79386962) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide
PubChem CID79386962
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C7H17NO3S/c1-5-12(10,11)8(4)6-7(2,3)9/h9H,5-6H2,1-4H3
InChIKeyIXZDVEZLINWQLA-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide (CID 79386962) is N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide?
The InChIKey is IXZDVEZLINWQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-5-12(10,11)8(4)6-7(2,3)9/h9H,5-6H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylethanesulfonamide is sourced from PubChem (CID 79386962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).