3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide

C13H22N4O2S2 — CID 71913831

IUPAC3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESCC(C)c1nsc(N2CCN(C3CCS(=O)(=O)C3)CC2)n1
InChIInChI=1S/C13H22N4O2S2/c1-10(2)12-14-13(20-15-12)17-6-4-16(5-7-17)11-3-8-21(18,19)9-11/h10-11H,3-9H2,1-2H3
InChIKeyHNGYHSVVWYUSBF-UHFFFAOYSA-N
MW330.48 g/mol
LogP0.97
Rot. Bonds3

About 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide

3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 71913831) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID71913831
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESCC(C)c1nsc(N2CCN(C3CCS(=O)(=O)C3)CC2)n1
InChIInChI=1S/C13H22N4O2S2/c1-10(2)12-14-13(20-15-12)17-6-4-16(5-7-17)11-3-8-21(18,19)9-11/h10-11H,3-9H2,1-2H3
InChIKeyHNGYHSVVWYUSBF-UHFFFAOYSA-N
XLogP0.97
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide (CID 71913831) is 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide is CC(C)c1nsc(N2CCN(C3CCS(=O)(=O)C3)CC2)n1.
What is the InChIKey of 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is HNGYHSVVWYUSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-10(2)12-14-13(20-15-12)17-6-4-16(5-7-17)11-3-8-21(18,19)9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide?
3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 330.48 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 71913831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).