3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol

C8H17NO3S — CID 104550741

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
SMILESCC(CCO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-8(2-5-10)9-3-6-13(11,12)7-4-9/h8,10H,2-7H2,1H3
InChIKeyOHCSJDDMOIAQEA-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.51
Rot. Bonds3

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol

3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol (PubChem CID 104550741) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
PubChem CID104550741
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
SMILESCC(CCO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-8(2-5-10)9-3-6-13(11,12)7-4-9/h8,10H,2-7H2,1H3
InChIKeyOHCSJDDMOIAQEA-UHFFFAOYSA-N
XLogP-0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Hydroxy-1-methylethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 4436119
4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide
CID 11435473
3-Fluoro-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol
CID 154680422
(2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
CID 154680480
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
CID 155059538
(3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
CID 167099795
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 7086149
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 7086151
4-(4-Hydroxybutyl)thiomorpholine 1,1-Dioxide
CID 12324072
3-[2-(2-Methylsulfonylethyl)piperidin-1-yl]propan-1-ol
CID 53810602
[(3R)-4-methyl-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 57710447
1-(2-Propan-2-ylsulfonylethyl)piperidin-4-ol
CID 57993012

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol (CID 104550741) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol is CC(CCO)N1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol?
The InChIKey is OHCSJDDMOIAQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2-5-10)9-3-6-13(11,12)7-4-9/h8,10H,2-7H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol?
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol has a molecular weight of 207.29 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol is sourced from PubChem (CID 104550741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).