1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine

C19H30N4O2S — CID 22202157

IUPAC1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C19H30N4O2S/c1-13-18(12-21(2)20-13)26(24,25)23-5-3-22(4-6-23)19-16-8-14-7-15(10-16)11-17(19)9-14/h12,14-17,19H,3-11H2,1-2H3
InChIKeyJBRWGLQHGPGXNY-UHFFFAOYSA-N
MW378.54 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine

1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 22202157) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID22202157
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C19H30N4O2S/c1-13-18(12-21(2)20-13)26(24,25)23-5-3-22(4-6-23)19-16-8-14-7-15(10-16)11-17(19)9-14/h12,14-17,19H,3-11H2,1-2H3
InChIKeyJBRWGLQHGPGXNY-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022514
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17371555
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
CID 3164934
1-(4-tert-butylphenyl)sulfonyl-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 17380671
1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22202160
1-(2-adamantyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 22202118
(4S,5S)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-morpholin-4-ylazepan-4-ol
CID 110128449
1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 6469213
5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
CID 138005435
(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine
CID 98337206
1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 22202137
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (CID 22202157) is 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(C)cc1S(=O)(=O)N1CCN(C2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is JBRWGLQHGPGXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-13-18(12-21(2)20-13)26(24,25)23-5-3-22(4-6-23)19-16-8-14-7-15(10-16)11-17(19)9-14/h12,14-17,19H,3-11H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 378.54 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 22202157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).