N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide

C9H21NO3S — CID 56794318

IUPACN-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C9H21NO3S/c1-5-14(12,13)10-7-8(11)6-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyMGYBCUYDWNYHSZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.72
Rot. Bonds5

About N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide

N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide (PubChem CID 56794318) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide
PubChem CID56794318
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C9H21NO3S/c1-5-14(12,13)10-7-8(11)6-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyMGYBCUYDWNYHSZ-UHFFFAOYSA-N
XLogP0.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide (CID 56794318) is N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide is CCS(=O)(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide?
The InChIKey is MGYBCUYDWNYHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-5-14(12,13)10-7-8(11)6-9(2,3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide?
N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)ethanesulfonamide is sourced from PubChem (CID 56794318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).