4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide

C7H14ClNO2S — CID 102885899

IUPAC4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CCCl
InChIInChI=1S/C7H14ClNO2S/c1-7-6-12(10,11)5-4-9(7)3-2-8/h7H,2-6H2,1H3
InChIKeyOVMKGMDKASLWKA-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.34
Rot. Bonds2

About 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102885899) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102885899
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CCCl
InChIInChI=1S/C7H14ClNO2S/c1-7-6-12(10,11)5-4-9(7)3-2-8/h7H,2-6H2,1H3
InChIKeyOVMKGMDKASLWKA-UHFFFAOYSA-N
XLogP0.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102884162
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
4-(2-chloroethyl)-6-methyl-1,4-thiazepane 1,1-dioxide
CID 118435739
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanenitrile
CID 102886083
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102883139

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102885899) is 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1CCCl.
What is the InChIKey of 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is OVMKGMDKASLWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-7-6-12(10,11)5-4-9(7)3-2-8/h7H,2-6H2,1H3.
What are the key properties of 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 211.71 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102885899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).