1-[1-(benzenesulfonyl)propan-2-yl]piperidine

C14H21NO2S — CID 574429

IUPAC1-[1-(benzenesulfonyl)propan-2-yl]piperidine
SMILESCC(CS(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-13(15-10-6-3-7-11-15)12-18(16,17)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3
InChIKeyWJUJZFXCSCXIJD-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.33
Rot. Bonds4

About 1-[1-(benzenesulfonyl)propan-2-yl]piperidine

1-[1-(benzenesulfonyl)propan-2-yl]piperidine (PubChem CID 574429) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)propan-2-yl]piperidine
PubChem CID574429
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[1-(benzenesulfonyl)propan-2-yl]piperidine
SMILESCC(CS(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-13(15-10-6-3-7-11-15)12-18(16,17)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3
InChIKeyWJUJZFXCSCXIJD-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)propan-2-yl]piperidine?
The IUPAC name of 1-[1-(benzenesulfonyl)propan-2-yl]piperidine (CID 574429) is 1-[1-(benzenesulfonyl)propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)propan-2-yl]piperidine?
The canonical SMILES for 1-[1-(benzenesulfonyl)propan-2-yl]piperidine is CC(CS(=O)(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)propan-2-yl]piperidine?
The InChIKey is WJUJZFXCSCXIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-13(15-10-6-3-7-11-15)12-18(16,17)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)propan-2-yl]piperidine?
1-[1-(benzenesulfonyl)propan-2-yl]piperidine has a molecular weight of 267.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)propan-2-yl]piperidine is sourced from PubChem (CID 574429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).