(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol

C8H16N2O2S — CID 122236780

IUPAC(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol
SMILESO=S1CCN([C@@H]2CNC[C@H]2O)CC1
InChIInChI=1S/C8H16N2O2S/c11-8-6-9-5-7(8)10-1-3-13(12)4-2-10/h7-9,11H,1-6H2/t7-,8-/m1/s1
InChIKeyBSJMGTBYWLQEHC-HTQZYQBOSA-N
MW204.29 g/mol
LogP-1.62
Rot. Bonds1

About (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol

(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol (PubChem CID 122236780) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol
PubChem CID122236780
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol
SMILESO=S1CCN([C@@H]2CNC[C@H]2O)CC1
InChIInChI=1S/C8H16N2O2S/c11-8-6-9-5-7(8)10-1-3-13(12)4-2-10/h7-9,11H,1-6H2/t7-,8-/m1/s1
InChIKeyBSJMGTBYWLQEHC-HTQZYQBOSA-N
XLogP-1.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856
(3R,4R)-4-(2-methyl-1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol;hydrochloride
CID 131182973
4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
CID 63704462
trans-(1R,2R)-2-(1-oxo-1,4-thiazinan-4-yl)cyclopentan-1-ol
CID 102734534
4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide
CID 66273495
4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol
CID 63705001
4-[4-(dimethylamino)piperidin-1-yl]pyrrolidin-3-ol
CID 63702628
(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol
CID 130905202
(3R,4R)-4-(1,4-thiazepan-4-yl)pyrrolidin-3-ol
CID 122236789
4-(4-ethyl-4-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63702374
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 122236976

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol (CID 122236780) is (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol is O=S1CCN([C@@H]2CNC[C@H]2O)CC1.
What is the InChIKey of (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol?
The InChIKey is BSJMGTBYWLQEHC-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N2O2S/c11-8-6-9-5-7(8)10-1-3-13(12)4-2-10/h7-9,11H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol?
(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol has a molecular weight of 204.29 g/mol, XLogP of -1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 122236780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).