N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide

C8H19NO3S — CID 79387783

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C8H19NO3S/c1-7(2)13(11,12)9(5)6-8(3,4)10/h7,10H,6H2,1-5H3
InChIKeyOBFCODCZHRZRRV-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.43
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide (PubChem CID 79387783) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide
PubChem CID79387783
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C8H19NO3S/c1-7(2)13(11,12)9(5)6-8(3,4)10/h7,10H,6H2,1-5H3
InChIKeyOBFCODCZHRZRRV-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.43
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-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide (CID 79387783) is N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide?
The InChIKey is OBFCODCZHRZRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(2)13(11,12)9(5)6-8(3,4)10/h7,10H,6H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methylpropane-2-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.43, 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-methylpropane-2-sulfonamide is sourced from PubChem (CID 79387783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).