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

C13H22N4O2S2 — CID 133383459

IUPAC3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESCCCc1nnc(N2CCN(C3CCS(=O)(=O)C3)CC2)s1
InChIInChI=1S/C13H22N4O2S2/c1-2-3-12-14-15-13(20-12)17-7-5-16(6-8-17)11-4-9-21(18,19)10-11/h11H,2-10H2,1H3
InChIKeyRHVISMNYSJBNPC-UHFFFAOYSA-N
MW330.48 g/mol
LogP0.80
Rot. Bonds4

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

3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 133383459) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID133383459
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESCCCc1nnc(N2CCN(C3CCS(=O)(=O)C3)CC2)s1
InChIInChI=1S/C13H22N4O2S2/c1-2-3-12-14-15-13(20-12)17-7-5-16(6-8-17)11-4-9-21(18,19)10-11/h11H,2-10H2,1H3
InChIKeyRHVISMNYSJBNPC-UHFFFAOYSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70773216
3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 56810040
methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate
CID 75382019
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-propylphenyl)methanone
CID 47719992
2-(4-but-3-ynylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole
CID 133453685
2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole
CID 133480844
2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole
CID 131944448
2-(4-butylphenyl)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone
CID 60594601
1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
CID 43315218
3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide
CID 133383433
3-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133488629
(3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide
CID 97310494

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide (CID 133383459) is 3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide is CCCc1nnc(N2CCN(C3CCS(=O)(=O)C3)CC2)s1.
What is the InChIKey of 3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is RHVISMNYSJBNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-2-3-12-14-15-13(20-12)17-7-5-16(6-8-17)11-4-9-21(18,19)10-11/h11H,2-10H2,1H3.
What are the key properties of 3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide?
3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 330.48 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 133383459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).