2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one

C10H20N2O4S — CID 24693773

IUPAC2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one
SMILESCS(=O)(=O)CCC(N)C(=O)N1CCC(O)CC1
InChIInChI=1S/C10H20N2O4S/c1-17(15,16)7-4-9(11)10(14)12-5-2-8(13)3-6-12/h8-9,13H,2-7,11H2,1H3
InChIKeyVKPGZSFBEPYBEV-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.27
Rot. Bonds4

About 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one

2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one (PubChem CID 24693773) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one
PubChem CID24693773
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one
SMILESCS(=O)(=O)CCC(N)C(=O)N1CCC(O)CC1
InChIInChI=1S/C10H20N2O4S/c1-17(15,16)7-4-9(11)10(14)12-5-2-8(13)3-6-12/h8-9,13H,2-7,11H2,1H3
InChIKeyVKPGZSFBEPYBEV-UHFFFAOYSA-N
XLogP-1.27
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one?
The IUPAC name of 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one (CID 24693773) is 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one.
What is the SMILES notation for 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one?
The canonical SMILES for 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one is CS(=O)(=O)CCC(N)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one?
The InChIKey is VKPGZSFBEPYBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-17(15,16)7-4-9(11)10(14)12-5-2-8(13)3-6-12/h8-9,13H,2-7,11H2,1H3.
What are the key properties of 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one?
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one has a molecular weight of 264.35 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one is sourced from PubChem (CID 24693773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).