Skip to content

Taurolidine

C7H16N4O4S2 — CID 29566

💊View drug profile → taurolidine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
InChIInChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2
InChIKeyAJKIRUJIDFJUKJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP-2.67
Rot. Bonds2

About Taurolidine

Taurolidine (PubChem CID 29566) has the molecular formula C7H16N4O4S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound NameTaurolidine
PubChem CID29566
Molecular FormulaC7H16N4O4S2
Molecular Weight284.36 g/mol
Exact Mass284.06
IUPAC Name4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
InChIInChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2
InChIKeyAJKIRUJIDFJUKJ-UHFFFAOYSA-N
XLogP-2.67
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-2.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze Taurolidine 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

4-[(1,1-Dioxo-1,2,4-thiadiazinan-4-yl)methyl]-2-methyl-1,2,4-thiadiazinane 1,1-dioxide
CID 14974033
4-[(1,1-Dioxo-2-propyl-1,2,4-thiadiazinan-4-yl)methyl]-2-propyl-1,2,4-thiadiazinane 1,1-dioxide
CID 20556766
2-Aminoethanesulfonamide;4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide;hydrochloride
CID 67562242
5-[(1,1-Dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,5-oxathiazinane 2,2-dioxide
CID 72703655
4-[(1-Methylidene-1-oxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide
CID 88904218
4-[(1,1-Dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide;hydron
CID 126745010
Taurolidine-D6
CID 169446721

Frequently Asked Questions

What is the IUPAC name of Taurolidine?
The IUPAC name of Taurolidine (CID 29566) is 4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide.
What is the SMILES notation for Taurolidine?
The canonical SMILES for Taurolidine is O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1.
What is the InChIKey of Taurolidine?
The InChIKey is AJKIRUJIDFJUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2.
What are the key properties of Taurolidine?
Taurolidine has a molecular weight of 284.36 g/mol, XLogP of -2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Taurolidine is sourced from PubChem (CID 29566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: T · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.