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

C8H12ClN3O2S2 — CID 102883139

IUPAC4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1Cc1nnc(Cl)s1
InChIInChI=1S/C8H12ClN3O2S2/c1-6-5-16(13,14)3-2-12(6)4-7-10-11-8(9)15-7/h6H,2-5H2,1H3
InChIKeySZSHTWUINKJTAZ-UHFFFAOYSA-N
MW281.79 g/mol
LogP0.81
Rot. Bonds2

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

4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102883139) has the molecular formula C8H12ClN3O2S2 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102883139
Molecular FormulaC8H12ClN3O2S2
Molecular Weight281.79 g/mol
Exact Mass281.01
IUPAC Name4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1Cc1nnc(Cl)s1
InChIInChI=1S/C8H12ClN3O2S2/c1-6-5-16(13,14)3-2-12(6)4-7-10-11-8(9)15-7/h6H,2-5H2,1H3
InChIKeySZSHTWUINKJTAZ-UHFFFAOYSA-N
XLogP0.81
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102883139) is 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1Cc1nnc(Cl)s1.
What is the InChIKey of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is SZSHTWUINKJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S2/c1-6-5-16(13,14)3-2-12(6)4-7-10-11-8(9)15-7/h6H,2-5H2,1H3.
What are the key properties of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 281.79 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102883139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).