4-(propan-2-ylsulfonylmethyl)piperidine

C9H19NO2S — CID 28708709

IUPAC4-(propan-2-ylsulfonylmethyl)piperidine
SMILESCC(C)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C9H19NO2S/c1-8(2)13(11,12)7-9-3-5-10-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyDKXHFZDMWHOILA-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.81
Rot. Bonds3

About 4-(propan-2-ylsulfonylmethyl)piperidine

4-(propan-2-ylsulfonylmethyl)piperidine (PubChem CID 28708709) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-(propan-2-ylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name4-(propan-2-ylsulfonylmethyl)piperidine
PubChem CID28708709
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-(propan-2-ylsulfonylmethyl)piperidine
SMILESCC(C)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C9H19NO2S/c1-8(2)13(11,12)7-9-3-5-10-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyDKXHFZDMWHOILA-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfonylmethyl)piperidine?
The IUPAC name of 4-(propan-2-ylsulfonylmethyl)piperidine (CID 28708709) is 4-(propan-2-ylsulfonylmethyl)piperidine.
What is the SMILES notation for 4-(propan-2-ylsulfonylmethyl)piperidine?
The canonical SMILES for 4-(propan-2-ylsulfonylmethyl)piperidine is CC(C)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of 4-(propan-2-ylsulfonylmethyl)piperidine?
The InChIKey is DKXHFZDMWHOILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)13(11,12)7-9-3-5-10-6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-(propan-2-ylsulfonylmethyl)piperidine?
4-(propan-2-ylsulfonylmethyl)piperidine has a molecular weight of 205.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfonylmethyl)piperidine is sourced from PubChem (CID 28708709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).