4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide

C13H25NO2S — CID 58054338

IUPAC4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide
SMILESCC(C)C1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H25NO2S/c1-11(2)12-3-7-14(8-4-12)13-5-9-17(15,16)10-6-13/h11-13H,3-10H2,1-2H3
InChIKeyJTQVDLOUPRTBFX-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.93
Rot. Bonds2

About 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide

4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide (PubChem CID 58054338) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide
PubChem CID58054338
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide
SMILESCC(C)C1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H25NO2S/c1-11(2)12-3-7-14(8-4-12)13-5-9-17(15,16)10-6-13/h11-13H,3-10H2,1-2H3
InChIKeyJTQVDLOUPRTBFX-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide (CID 58054338) is 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide is CC(C)C1CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide?
The InChIKey is JTQVDLOUPRTBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-11(2)12-3-7-14(8-4-12)13-5-9-17(15,16)10-6-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide?
4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide has a molecular weight of 259.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperidin-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 58054338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).