4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide

C13H25NO5S — CID 153228324

IUPAC4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)(CCO)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H25NO5S/c1-10(2)14-12(16)13(3,6-7-15)20(17,18)11-4-8-19-9-5-11/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyWPAVMHIYMVTNQE-UHFFFAOYSA-N
MW307.41 g/mol
LogP0.25
Rot. Bonds6

About 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide

4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide (PubChem CID 153228324) has the molecular formula C13H25NO5S and a molecular weight of 307.41 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide
PubChem CID153228324
Molecular FormulaC13H25NO5S
Molecular Weight307.41 g/mol
Exact Mass307.15
IUPAC Name4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)(CCO)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H25NO5S/c1-10(2)14-12(16)13(3,6-7-15)20(17,18)11-4-8-19-9-5-11/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyWPAVMHIYMVTNQE-UHFFFAOYSA-N
XLogP0.25
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide (CID 153228324) is 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide is CC(C)NC(=O)C(C)(CCO)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide?
The InChIKey is WPAVMHIYMVTNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S/c1-10(2)14-12(16)13(3,6-7-15)20(17,18)11-4-8-19-9-5-11/h10-11,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide?
4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide has a molecular weight of 307.41 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-2-(oxan-4-ylsulfonyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 153228324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).