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

C13H22N4O2S2 — CID 97085817

IUPAC(3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESCC(C)c1nsc(N2CCN([C@H]3CCS(=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/t11-/m0/s1
InChIKeyHNGYHSVVWYUSBF-NSHDSACASA-N
MW330.48 g/mol
LogP0.97
Rot. Bonds3

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

(3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 97085817) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is (3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID97085817
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name(3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESCC(C)c1nsc(N2CCN([C@H]3CCS(=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/t11-/m0/s1
InChIKeyHNGYHSVVWYUSBF-NSHDSACASA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
3-[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 71913831
3-Methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71924726
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71971597
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71971599
3-Methyl-5-[4-(2-propylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71979070
3-Methyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole
CID 75374151
3-Ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole
CID 75376986
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine 1,1-dioxide
CID 75425181

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of (3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide (CID 97085817) is (3S)-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 (3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide is CC(C)c1nsc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1.
What is the InChIKey of (3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is HNGYHSVVWYUSBF-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide?
(3S)-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 (3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 97085817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).