2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline

C11H15ClN2O2S — CID 113334206

IUPAC2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15ClN2O2S/c1-8-6-10(13)9(12)7-11(8)14-2-4-17(15,16)5-3-14/h6-7H,2-5,13H2,1H3
InChIKeyHUDLJNPAFFNLLE-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.47
Rot. Bonds1

About 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline

2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline (PubChem CID 113334206) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline
PubChem CID113334206
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15ClN2O2S/c1-8-6-10(13)9(12)7-11(8)14-2-4-17(15,16)5-3-14/h6-7H,2-5,13H2,1H3
InChIKeyHUDLJNPAFFNLLE-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline?
The IUPAC name of 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline (CID 113334206) is 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline.
What is the SMILES notation for 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline?
The canonical SMILES for 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline is Cc1cc(N)c(Cl)cc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline?
The InChIKey is HUDLJNPAFFNLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8-6-10(13)9(12)7-11(8)14-2-4-17(15,16)5-3-14/h6-7H,2-5,13H2,1H3.
What are the key properties of 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline?
2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline has a molecular weight of 274.77 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline is sourced from PubChem (CID 113334206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).