4-propan-2-ylsulfonylpiperidine

C8H17NO2S — CID 57231271

IUPAC4-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C8H17NO2S/c1-7(2)12(10,11)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyDLDLIKJDRQJBEB-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds2

About 4-propan-2-ylsulfonylpiperidine

4-propan-2-ylsulfonylpiperidine (PubChem CID 57231271) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-propan-2-ylsulfonylpiperidine
PubChem CID57231271
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C8H17NO2S/c1-7(2)12(10,11)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyDLDLIKJDRQJBEB-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfonylpiperidine?
The IUPAC name of 4-propan-2-ylsulfonylpiperidine (CID 57231271) is 4-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 4-propan-2-ylsulfonylpiperidine is CC(C)S(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-propan-2-ylsulfonylpiperidine?
The InChIKey is DLDLIKJDRQJBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)12(10,11)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylsulfonylpiperidine?
4-propan-2-ylsulfonylpiperidine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 57231271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).