3-(benzenesulfonyl)piperidine;ethane

C15H27NO2S — CID 142376077

IUPAC3-(benzenesulfonyl)piperidine;ethane
SMILESCC.CC.O=S(=O)(c1ccccc1)C1CCCNC1
InChIInChI=1S/C11H15NO2S.2C2H6/c13-15(14,10-5-2-1-3-6-10)11-7-4-8-12-9-11;2*1-2/h1-3,5-6,11-12H,4,7-9H2;2*1-2H3
InChIKeyZVFIGKJJBLHURF-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.26
Rot. Bonds2

About 3-(benzenesulfonyl)piperidine;ethane

3-(benzenesulfonyl)piperidine;ethane (PubChem CID 142376077) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)piperidine;ethane.

Molecular Properties

Compound Name3-(benzenesulfonyl)piperidine;ethane
PubChem CID142376077
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name3-(benzenesulfonyl)piperidine;ethane
SMILESCC.CC.O=S(=O)(c1ccccc1)C1CCCNC1
InChIInChI=1S/C11H15NO2S.2C2H6/c13-15(14,10-5-2-1-3-6-10)11-7-4-8-12-9-11;2*1-2/h1-3,5-6,11-12H,4,7-9H2;2*1-2H3
InChIKeyZVFIGKJJBLHURF-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonyl)ethan-1-amine
CID 3545497
3-(Benzenesulfonyl)propan-1-amine
CID 5007910
4-[2-(Phenylsulfonyl)ethyl]thiomorpholine
CID 2818766
1-[2-(Benzenesulfonyl)ethyl]-3-methylpiperidine
CID 2818768
N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine
CID 134131930
N-cyclohexyl-2-(phenylsulfonyl)acetamide
CID 1264349
2-(2-(Phenylsulfonyl)ethyl)piperidine hydrochloride
CID 24747372
N-(2-phenylsulfonylethyl)-2-propanamine
CID 13655034
N-[2-(benzenesulfonyl)ethyl]propan-1-amine
CID 57300593
4-(Benzenesulfonyl)butan-1-amine
CID 28753392
4-(benzenesulfonyl)-N,N-dimethylbutan-1-amine
CID 73351203
Sulfone, 4-fluorophenyl 2-piperidinoethyl, hydrochloride
CID 214239

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)piperidine;ethane?
The IUPAC name of 3-(benzenesulfonyl)piperidine;ethane (CID 142376077) is 3-(benzenesulfonyl)piperidine;ethane.
What is the SMILES notation for 3-(benzenesulfonyl)piperidine;ethane?
The canonical SMILES for 3-(benzenesulfonyl)piperidine;ethane is CC.CC.O=S(=O)(c1ccccc1)C1CCCNC1.
What is the InChIKey of 3-(benzenesulfonyl)piperidine;ethane?
The InChIKey is ZVFIGKJJBLHURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S.2C2H6/c13-15(14,10-5-2-1-3-6-10)11-7-4-8-12-9-11;2*1-2/h1-3,5-6,11-12H,4,7-9H2;2*1-2H3.
What are the key properties of 3-(benzenesulfonyl)piperidine;ethane?
3-(benzenesulfonyl)piperidine;ethane has a molecular weight of 285.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)piperidine;ethane is sourced from PubChem (CID 142376077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).