4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide

C10H20N2O2S — CID 102884162

IUPAC4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CCC1CNC1
InChIInChI=1S/C10H20N2O2S/c1-9-8-15(13,14)5-4-12(9)3-2-10-6-11-7-10/h9-11H,2-8H2,1H3
InChIKeyJDTYPFOQJPCTOE-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.29
Rot. Bonds3

About 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide

4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102884162) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102884162
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CCC1CNC1
InChIInChI=1S/C10H20N2O2S/c1-9-8-15(13,14)5-4-12(9)3-2-10-6-11-7-10/h9-11H,2-8H2,1H3
InChIKeyJDTYPFOQJPCTOE-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide
CID 102884232
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 102887322
3-methyl-4-(morpholin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 102883644
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411
4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885976
N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine
CID 102884254
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887294

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102884162) is 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1CCC1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is JDTYPFOQJPCTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9-8-15(13,14)5-4-12(9)3-2-10-6-11-7-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 232.35 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102884162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).