propan-2-yl piperidine-1-sulfonate

C8H17NO3S — CID 58928967

IUPACpropan-2-yl piperidine-1-sulfonate
SMILESCC(C)OS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H17NO3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyXBLRNFDLMXOCON-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.14
Rot. Bonds3

About propan-2-yl piperidine-1-sulfonate

propan-2-yl piperidine-1-sulfonate (PubChem CID 58928967) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is propan-2-yl piperidine-1-sulfonate.

Molecular Properties

Compound Namepropan-2-yl piperidine-1-sulfonate
PubChem CID58928967
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Namepropan-2-yl piperidine-1-sulfonate
SMILESCC(C)OS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H17NO3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyXBLRNFDLMXOCON-UHFFFAOYSA-N
XLogP1.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl piperidine-1-sulfonate?
The IUPAC name of propan-2-yl piperidine-1-sulfonate (CID 58928967) is propan-2-yl piperidine-1-sulfonate.
What is the SMILES notation for propan-2-yl piperidine-1-sulfonate?
The canonical SMILES for propan-2-yl piperidine-1-sulfonate is CC(C)OS(=O)(=O)N1CCCCC1.
What is the InChIKey of propan-2-yl piperidine-1-sulfonate?
The InChIKey is XBLRNFDLMXOCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of propan-2-yl piperidine-1-sulfonate?
propan-2-yl piperidine-1-sulfonate has a molecular weight of 207.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl piperidine-1-sulfonate is sourced from PubChem (CID 58928967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).