4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol

C16H29N3O3SSi — CID 90723023

IUPAC4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol
SMILESC[Si](C)(C)C(O)CCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H29N3O3SSi/c1-24(2,3)16(20)8-6-14-23(21,22)19-12-10-18(11-13-19)15-7-4-5-9-17-15/h4-5,7,9,16,20H,6,8,10-14H2,1-3H3
InChIKeyGAHNYNBXTYPRRE-UHFFFAOYSA-N
MW371.58 g/mol
LogP1.55
Rot. Bonds7

About 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol

4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol (PubChem CID 90723023) has the molecular formula C16H29N3O3SSi and a molecular weight of 371.58 g/mol. Its IUPAC name is 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol.

Molecular Properties

Compound Name4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol
PubChem CID90723023
Molecular FormulaC16H29N3O3SSi
Molecular Weight371.58 g/mol
Exact Mass371.17
IUPAC Name4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol
SMILESC[Si](C)(C)C(O)CCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H29N3O3SSi/c1-24(2,3)16(20)8-6-14-23(21,22)19-12-10-18(11-13-19)15-7-4-5-9-17-15/h4-5,7,9,16,20H,6,8,10-14H2,1-3H3
InChIKeyGAHNYNBXTYPRRE-UHFFFAOYSA-N
XLogP1.55
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.58
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol?
The IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol (CID 90723023) is 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol.
What is the SMILES notation for 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol?
The canonical SMILES for 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol is C[Si](C)(C)C(O)CCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol?
The InChIKey is GAHNYNBXTYPRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3SSi/c1-24(2,3)16(20)8-6-14-23(21,22)19-12-10-18(11-13-19)15-7-4-5-9-17-15/h4-5,7,9,16,20H,6,8,10-14H2,1-3H3.
What are the key properties of 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol?
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol has a molecular weight of 371.58 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol is sourced from PubChem (CID 90723023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).