2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

C8H17NO3S — CID 130503167

IUPAC2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC(CO)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C8H17NO3S/c1-7(5-10)9-3-4-13(11,12)6-8(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeySSDAYRBIMXHYRZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.51
Rot. Bonds2

About 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 130503167) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID130503167
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC(CO)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C8H17NO3S/c1-7(5-10)9-3-4-13(11,12)6-8(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeySSDAYRBIMXHYRZ-UHFFFAOYSA-N
XLogP-0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887307
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885599
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028
2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile
CID 102886069
(2R)-2-(2-methylazetidin-1-yl)propan-1-ol
CID 104550441
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
CID 102886110
ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102884445
N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102887022
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide
CID 102883753
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102884394

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (CID 130503167) is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is CC(CO)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is SSDAYRBIMXHYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(5-10)9-3-4-13(11,12)6-8(9)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 207.29 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 130503167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).