5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol

C9H18N2O3S — CID 66054971

IUPAC5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol
SMILESO=S1(=O)CCN(CC2CC(O)CN2)CC1
InChIInChI=1S/C9H18N2O3S/c12-9-5-8(10-6-9)7-11-1-3-15(13,14)4-2-11/h8-10,12H,1-7H2
InChIKeyFQLIHIDWVMEDFY-UHFFFAOYSA-N
MW234.32 g/mol
LogP-1.56
Rot. Bonds2

About 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol

5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 66054971) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol
PubChem CID66054971
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol
SMILESO=S1(=O)CCN(CC2CC(O)CN2)CC1
InChIInChI=1S/C9H18N2O3S/c12-9-5-8(10-6-9)7-11-1-3-15(13,14)4-2-11/h8-10,12H,1-7H2
InChIKeyFQLIHIDWVMEDFY-UHFFFAOYSA-N
XLogP-1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Hydroxy-4-(piperazin-1-yl)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 47002857
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol
CID 23605653
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride
CID 126460539
2-Hydroxy-1-[1-(2-hydroxyethyl)piperazin-2-yl]propane-1-sulfonic acid
CID 87393390
3-Hydroxy-3-[1-(2-hydroxyethyl)piperazin-2-yl]propane-1-sulfonic acid
CID 87393391
2-Hydroxy-3-[1-(2-hydroxy-3-sulfopropyl)piperazin-2-yl]propane-1-sulfonic acid
CID 87393943
1,1-Dioxo-4-piperidin-1-ium-1-ylthiolan-3-ol
CID 3311648
(3S,4R)-1,1-dioxo-4-piperidin-1-ium-1-ylthiolan-3-ol
CID 6982119
(3S,4S)-1,1-dioxo-4-piperidin-1-ium-1-ylthiolan-3-ol
CID 6982121
(3R,4S)-1,1-dioxo-4-piperidin-1-ium-1-ylthiolan-3-ol
CID 7071655
(3R,4R)-1,1-dioxo-4-piperidin-1-ium-1-ylthiolan-3-ol
CID 7071656
3-Hydroxy-4-(piperazin-1-yl)-1lambda-thiolane-1,1-dione
CID 43827492

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol (CID 66054971) is 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol is O=S1(=O)CCN(CC2CC(O)CN2)CC1.
What is the InChIKey of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is FQLIHIDWVMEDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c12-9-5-8(10-6-9)7-11-1-3-15(13,14)4-2-11/h8-10,12H,1-7H2.
What are the key properties of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol?
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 234.32 g/mol, XLogP of -1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).