2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide

C8H19NO3S — CID 79589472

IUPAC2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)CCO
InChIInChI=1S/C8H19NO3S/c1-4-7(2)8(3)9-13(11,12)6-5-10/h7-10H,4-6H2,1-3H3
InChIKeyJENRPALGXCWGEI-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.33
Rot. Bonds6

About 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide

2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide (PubChem CID 79589472) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide
PubChem CID79589472
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)CCO
InChIInChI=1S/C8H19NO3S/c1-4-7(2)8(3)9-13(11,12)6-5-10/h7-10H,4-6H2,1-3H3
InChIKeyJENRPALGXCWGEI-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-N-(3-methylpentan-2-yl)methanesulfonamide
CID 83086988
N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide
CID 106053850
2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide
CID 107652469
N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide
CID 82939293
N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide
CID 79578428
2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide
CID 102174654
4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide
CID 115967682
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide
CID 79589473
3-hydroxy-N-propan-2-ylpropane-1-sulfonamide
CID 64982777
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
CID 61359142
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 103918606

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide (CID 79589472) is 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide is CCC(C)C(C)NS(=O)(=O)CCO.
What is the InChIKey of 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide?
The InChIKey is JENRPALGXCWGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-7(2)8(3)9-13(11,12)6-5-10/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide?
2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide is sourced from PubChem (CID 79589472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).