N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide

C9H21NO3S — CID 79387777

IUPACN-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H21NO3S/c1-8(2)6-14(12,13)10(5)7-9(3,4)11/h8,11H,6-7H2,1-5H3
InChIKeyKSTHLRGIQAOZKR-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.67
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide

N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide (PubChem CID 79387777) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide
PubChem CID79387777
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H21NO3S/c1-8(2)6-14(12,13)10(5)7-9(3,4)11/h8,11H,6-7H2,1-5H3
InChIKeyKSTHLRGIQAOZKR-UHFFFAOYSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.67
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,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide (CID 79387777) is N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide is CC(C)CS(=O)(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide?
The InChIKey is KSTHLRGIQAOZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(2)6-14(12,13)10(5)7-9(3,4)11/h8,11H,6-7H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide?
N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.67, 5 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,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 79387777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).