1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine

C19H30N4O2S — CID 17349361

IUPAC1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H30N4O2S/c1-14-18(13-21(2)20-14)26(24,25)23-5-3-22(4-6-23)19-10-15-7-16(11-19)9-17(8-15)12-19/h13,15-17H,3-12H2,1-2H3
InChIKeySVBHQSLKGWENLA-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.00
Rot. Bonds3

About 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine

1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 17349361) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID17349361
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H30N4O2S/c1-14-18(13-21(2)20-14)26(24,25)23-5-3-22(4-6-23)19-10-15-7-16(11-19)9-17(8-15)12-19/h13,15-17H,3-12H2,1-2H3
InChIKeySVBHQSLKGWENLA-UHFFFAOYSA-N
XLogP2.00
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (CID 17349361) is 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(C)cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is SVBHQSLKGWENLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-14-18(13-21(2)20-14)26(24,25)23-5-3-22(4-6-23)19-10-15-7-16(11-19)9-17(8-15)12-19/h13,15-17H,3-12H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 378.54 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 17349361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).