3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide

C9H15NO2S — CID 2831160

IUPAC3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(N2CCCCC2)C1
InChIInChI=1S/C9H15NO2S/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10/h4,7,9H,1-3,5-6,8H2
InChIKeyPCBCJYQDNVXHSY-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.78
Rot. Bonds1

About 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide

3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 2831160) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID2831160
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(N2CCCCC2)C1
InChIInChI=1S/C9H15NO2S/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10/h4,7,9H,1-3,5-6,8H2
InChIKeyPCBCJYQDNVXHSY-UHFFFAOYSA-N
XLogP0.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide (CID 2831160) is 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=CC(N2CCCCC2)C1.
What is the InChIKey of 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is PCBCJYQDNVXHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10/h4,7,9H,1-3,5-6,8H2.
What are the key properties of 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 201.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 2831160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).