3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide

C11H17N3O4S2 — CID 43581378

IUPAC3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCS(=O)(=O)CC2)c(N)c1
InChIInChI=1S/C11H17N3O4S2/c1-13-20(17,18)9-2-3-11(10(12)8-9)14-4-6-19(15,16)7-5-14/h2-3,8,13H,4-7,12H2,1H3
InChIKeyXKFAAWDIXIDLQR-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.59
Rot. Bonds3

About 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide

3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide (PubChem CID 43581378) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide
PubChem CID43581378
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCS(=O)(=O)CC2)c(N)c1
InChIInChI=1S/C11H17N3O4S2/c1-13-20(17,18)9-2-3-11(10(12)8-9)14-4-6-19(15,16)7-5-14/h2-3,8,13H,4-7,12H2,1H3
InChIKeyXKFAAWDIXIDLQR-UHFFFAOYSA-N
XLogP-0.59
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide 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-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide
CID 43581395
3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide
CID 43449076
3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide
CID 43449093
4-amino-3-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 82899212
4-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82899679
3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 156599254
4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 82899314
3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
CID 114592010
3-amino-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 67169234
3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide
CID 22272481
4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 82898767

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide (CID 43581378) is 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCS(=O)(=O)CC2)c(N)c1.
What is the InChIKey of 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide?
The InChIKey is XKFAAWDIXIDLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-13-20(17,18)9-2-3-11(10(12)8-9)14-4-6-19(15,16)7-5-14/h2-3,8,13H,4-7,12H2,1H3.
What are the key properties of 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide?
3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43581378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).