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

C9H17NO3S — CID 1360441

IUPAC(3R,4R)-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-/m0/s1
InChIKeySNEPMRMWHXCLPC-IUCAKERBSA-N
MW219.31 g/mol
LogP-0.37
Rot. Bonds1

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

(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol (PubChem CID 1360441) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
PubChem CID1360441
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name(3R,4R)-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-/m0/s1
InChIKeySNEPMRMWHXCLPC-IUCAKERBSA-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

Analyze (3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol with MolForge

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Related Compounds

Thiophene-3-ol, tetrahydro-4-(1-piperidinyl)-, 1,1-dioxide
CID 2851717
4-Morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 2831182
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol
CID 23605653
trans-4-Piperidinothiolan-3-ol
CID 129792297
cis-4-Piperidinothiolan-3-ol
CID 129792671
1,1-Dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol
CID 60666035
1,1-Dioxo-4-[4-(trifluoromethyl)piperidin-1-yl]thiolan-3-ol
CID 65537924
(3S,4S)-3-[4-(2-fluoroethyl)piperazin-1-yl]-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 126846803
(3S,4S)-3-(4-fluoropiperidin-1-yl)-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 126846807
(4S)-3-{[(1R,2R)-2-fluorocyclopentyl](methyl)amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021300
(4S)-3-{[(1R,2R)-2-fluorocyclohexyl](methyl)amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021319
(3R*,4R*)-4-{ethyl[(1-isopropylpiperidin-4-yl)methyl]amino}tetrahydrothiophene-3-ol 1,1-dioxide
CID 46987259

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol?
The IUPAC name of (3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol (CID 1360441) is (3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol.
What is the SMILES notation for (3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol?
The canonical SMILES for (3R,4R)-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 (3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol?
The InChIKey is SNEPMRMWHXCLPC-IUCAKERBSA-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-/m0/s1.
What are the key properties of (3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol?
(3R,4R)-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 (3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol is sourced from PubChem (CID 1360441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).