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

C9H15N3O2S2 — CID 71858349

IUPAC4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1nsc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H15N3O2S2/c1-7(2)8-10-9(15-11-8)12-3-5-16(13,14)6-4-12/h7H,3-6H2,1-2H3
InChIKeyLHPBLOHHZICQNM-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.90
Rot. Bonds2

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

4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 71858349) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID71858349
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1nsc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H15N3O2S2/c1-7(2)8-10-9(15-11-8)12-3-5-16(13,14)6-4-12/h7H,3-6H2,1-2H3
InChIKeyLHPBLOHHZICQNM-UHFFFAOYSA-N
XLogP0.90
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (CID 71858349) is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is CC(C)c1nsc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is LHPBLOHHZICQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-7(2)8-10-9(15-11-8)12-3-5-16(13,14)6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 261.37 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71858349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).