4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide

C14H28N2O2S — CID 138601315

IUPAC4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
SMILESCCCC(C)N1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-4-13(2)15-7-9-16(10-8-15)14-5-11-19(17,18)12-6-14/h13-14H,3-12H2,1-2H3
InChIKeyLZXGWKBZKJSIFQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.37
Rot. Bonds4

About 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide

4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide (PubChem CID 138601315) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
PubChem CID138601315
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
SMILESCCCC(C)N1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-4-13(2)15-7-9-16(10-8-15)14-5-11-19(17,18)12-6-14/h13-14H,3-12H2,1-2H3
InChIKeyLZXGWKBZKJSIFQ-UHFFFAOYSA-N
XLogP1.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide (CID 138601315) is 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide is CCCC(C)N1CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide?
The InChIKey is LZXGWKBZKJSIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-4-13(2)15-7-9-16(10-8-15)14-5-11-19(17,18)12-6-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide?
4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide has a molecular weight of 288.46 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentan-2-ylpiperazin-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 138601315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).