(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol

C9H17NO3S — CID 6555452

IUPAC(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@H](N2CCCCC2)C1
InChIInChI=1S/C9H17NO3S/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKeySNEPMRMWHXCLPC-RKDXNWHRSA-N
MW219.31 g/mol
LogP-0.37
Rot. Bonds1

About (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol

(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol (PubChem CID 6555452) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
PubChem CID6555452
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@H](N2CCCCC2)C1
InChIInChI=1S/C9H17NO3S/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKeySNEPMRMWHXCLPC-RKDXNWHRSA-N
XLogP-0.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol?
The IUPAC name of (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol (CID 6555452) is (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol.
What is the SMILES notation for (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol?
The canonical SMILES for (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol is O=S1(=O)C[C@@H](O)[C@H](N2CCCCC2)C1.
What is the InChIKey of (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol?
The InChIKey is SNEPMRMWHXCLPC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2/t8-,9-/m1/s1.
What are the key properties of (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol?
(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol has a molecular weight of 219.31 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol is sourced from PubChem (CID 6555452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).