2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide

C10H16N4O2S — CID 134182612

IUPAC2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESC[C@H]1Cn2ncc(N3CCCS3(=O)=O)c2CN1
InChIInChI=1S/C10H16N4O2S/c1-8-7-13-9(5-11-8)10(6-12-13)14-3-2-4-17(14,15)16/h6,8,11H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyFJFBNMMCSGTFGU-QMMMGPOBSA-N
MW256.33 g/mol
LogP-0.09
Rot. Bonds1

About 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide

2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 134182612) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID134182612
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESC[C@H]1Cn2ncc(N3CCCS3(=O)=O)c2CN1
InChIInChI=1S/C10H16N4O2S/c1-8-7-13-9(5-11-8)10(6-12-13)14-3-2-4-17(14,15)16/h6,8,11H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyFJFBNMMCSGTFGU-QMMMGPOBSA-N
XLogP-0.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide (CID 134182612) is 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide is C[C@H]1Cn2ncc(N3CCCS3(=O)=O)c2CN1.
What is the InChIKey of 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FJFBNMMCSGTFGU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8-7-13-9(5-11-8)10(6-12-13)14-3-2-4-17(14,15)16/h6,8,11H,2-5,7H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide?
2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 256.33 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 134182612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).