(1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C11H19NO4S — CID 107224949

IUPAC(1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CCCCS1(=O)=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H19NO4S/c13-9-4-3-6-12(8-9)11(14)10-5-1-2-7-17(10,15)16/h9-10,13H,1-8H2/t9-,10?/m0/s1
InChIKeyXKOBVISIEHBPGB-RGURZIINSA-N
MW261.34 g/mol
LogP-0.06
Rot. Bonds1

About (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107224949) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107224949
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name(1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CCCCS1(=O)=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H19NO4S/c13-9-4-3-6-12(8-9)11(14)10-5-1-2-7-17(10,15)16/h9-10,13H,1-8H2/t9-,10?/m0/s1
InChIKeyXKOBVISIEHBPGB-RGURZIINSA-N
XLogP-0.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107224949) is (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(C1CCCCS1(=O)=O)N1CCC[C@H](O)C1.
What is the InChIKey of (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is XKOBVISIEHBPGB-RGURZIINSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-9-4-3-6-12(8-9)11(14)10-5-1-2-7-17(10,15)16/h9-10,13H,1-8H2/t9-,10?/m0/s1.
What are the key properties of (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 261.34 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107224949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).