4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide

C7H11N3O2S2 — CID 146129569

IUPAC4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1nsc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C7H11N3O2S2/c1-6-8-7(13-9-6)10-2-4-14(11,12)5-3-10/h2-5H2,1H3
InChIKeyHRNBDNNAZSHGRX-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.08
Rot. Bonds1

About 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide

4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 146129569) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID146129569
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC Name4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1nsc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C7H11N3O2S2/c1-6-8-7(13-9-6)10-2-4-14(11,12)5-3-10/h2-5H2,1H3
InChIKeyHRNBDNNAZSHGRX-UHFFFAOYSA-N
XLogP0.08
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (CID 146129569) is 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is Cc1nsc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is HRNBDNNAZSHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-6-8-7(13-9-6)10-2-4-14(11,12)5-3-10/h2-5H2,1H3.
What are the key properties of 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 233.32 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 146129569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).