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

C11H17N3O2S2 — CID 71971597

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1(C)CN(c2nc(C3CC3)ns2)CCS1(=O)=O
InChIInChI=1S/C11H17N3O2S2/c1-11(2)7-14(5-6-18(11,15)16)10-12-9(13-17-10)8-3-4-8/h8H,3-7H2,1-2H3
InChIKeySQTAWLNADVCCLH-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.43
Rot. Bonds2

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

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 71971597) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID71971597
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1(C)CN(c2nc(C3CC3)ns2)CCS1(=O)=O
InChIInChI=1S/C11H17N3O2S2/c1-11(2)7-14(5-6-18(11,15)16)10-12-9(13-17-10)8-3-4-8/h8H,3-7H2,1-2H3
InChIKeySQTAWLNADVCCLH-UHFFFAOYSA-N
XLogP1.43
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858346
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858349
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 71866341
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-YL)thiomorpholine
CID 71925335
2,2-Dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71854939
3-Methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71979076
(3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 97085817
3-cyclohexyl-5-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164630168
2,2-Diethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide
CID 136542350
1-(3-Cyclohexyl-1,2,4-thiadiazol-5-yl)-3-(methanesulfonylmethyl)piperidine
CID 128850076
[5-(3,5-Dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]methanesulfinic acid
CID 71100361
4-[3-(Methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
CID 143035852

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (CID 71971597) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is CC1(C)CN(c2nc(C3CC3)ns2)CCS1(=O)=O.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is SQTAWLNADVCCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-11(2)7-14(5-6-18(11,15)16)10-12-9(13-17-10)8-3-4-8/h8H,3-7H2,1-2H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 287.41 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71971597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).