(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine

C16H26N6O4S2 — CID 98337206

IUPAC(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)c2cn(C)nc2C)C[C@H]1C
InChIInChI=1S/C16H26N6O4S2/c1-11-7-22(28(25,26)16-10-20(6)18-14(16)4)12(2)8-21(11)27(23,24)15-9-19(5)17-13(15)3/h9-12H,7-8H2,1-6H3/t11-,12-/m1/s1
InChIKeyHOBJHEDKKSKXIL-VXGBXAGGSA-N
MW430.56 g/mol
LogP0.24
Rot. Bonds4

About (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine

(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine (PubChem CID 98337206) has the molecular formula C16H26N6O4S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine
PubChem CID98337206
Molecular FormulaC16H26N6O4S2
Molecular Weight430.56 g/mol
Exact Mass430.15
IUPAC Name(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)c2cn(C)nc2C)C[C@H]1C
InChIInChI=1S/C16H26N6O4S2/c1-11-7-22(28(25,26)16-10-20(6)18-14(16)4)12(2)8-21(11)27(23,24)15-9-19(5)17-13(15)3/h9-12H,7-8H2,1-6H3/t11-,12-/m1/s1
InChIKeyHOBJHEDKKSKXIL-VXGBXAGGSA-N
XLogP0.24
TPSA110.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine?
The IUPAC name of (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine (CID 98337206) is (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine.
What is the SMILES notation for (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine?
The canonical SMILES for (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine is Cc1nn(C)cc1S(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)c2cn(C)nc2C)C[C@H]1C.
What is the InChIKey of (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine?
The InChIKey is HOBJHEDKKSKXIL-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H26N6O4S2/c1-11-7-22(28(25,26)16-10-20(6)18-14(16)4)12(2)8-21(11)27(23,24)15-9-19(5)17-13(15)3/h9-12H,7-8H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine?
(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine has a molecular weight of 430.56 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 98337206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).