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

C14H22ClNO2S — CID 2916835

IUPAC1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride
SMILESCC(CS(=O)(=O)c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C14H21NO2S.ClH/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;1H
InChIKeyBKVLOESDVIRYPP-UHFFFAOYSA-N
MW303.85 g/mol
LogP2.76
Rot. Bonds4

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

1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride (PubChem CID 2916835) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride
PubChem CID2916835
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC Name1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride
SMILESCC(CS(=O)(=O)c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C14H21NO2S.ClH/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;1H
InChIKeyBKVLOESDVIRYPP-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 52.76
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;hydrochloride?
The IUPAC name of 1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride (CID 2916835) is 1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride.
What is the SMILES notation for 1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride?
The canonical SMILES for 1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride is CC(CS(=O)(=O)c1ccccc1)N1CCCCC1.Cl.
What is the InChIKey of 1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride?
The InChIKey is BKVLOESDVIRYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S.ClH/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;1H.
What are the key properties of 1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride?
1-[1-(benzenesulfonyl)propan-2-yl]piperidine;hydrochloride has a molecular weight of 303.85 g/mol, XLogP of 2.76, 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;hydrochloride is sourced from PubChem (CID 2916835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).