1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride

C9H17ClNO3S- — CID 21179773

IUPAC1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride
SMILESO=S1(=O)CC(O)C(N2CCCCC2)C1.[Cl-]
InChIInChI=1S/C9H17NO3S.ClH/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10;/h8-9,11H,1-7H2;1H/p-1
InChIKeyPBZBCXATOIFCLZ-UHFFFAOYSA-M
MW254.76 g/mol
LogP-3.37
Rot. Bonds1

About 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride

1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride (PubChem CID 21179773) has the molecular formula C9H17ClNO3S- and a molecular weight of 254.76 g/mol. Its IUPAC name is 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride.

Molecular Properties

Compound Name1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride
PubChem CID21179773
Molecular FormulaC9H17ClNO3S-
Molecular Weight254.76 g/mol
Exact Mass254.06
IUPAC Name1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride
SMILESO=S1(=O)CC(O)C(N2CCCCC2)C1.[Cl-]
InChIInChI=1S/C9H17NO3S.ClH/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10;/h8-9,11H,1-7H2;1H/p-1
InChIKeyPBZBCXATOIFCLZ-UHFFFAOYSA-M
XLogP-3.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 5-3.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride?
The IUPAC name of 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride (CID 21179773) is 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride.
What is the SMILES notation for 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride?
The canonical SMILES for 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride is O=S1(=O)CC(O)C(N2CCCCC2)C1.[Cl-].
What is the InChIKey of 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride?
The InChIKey is PBZBCXATOIFCLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO3S.ClH/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10;/h8-9,11H,1-7H2;1H/p-1.
What are the key properties of 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride?
1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride has a molecular weight of 254.76 g/mol, XLogP of -3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-piperidin-1-ylthiolan-3-ol chloride is sourced from PubChem (CID 21179773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).