1-(benzenesulfinyl)piperidine

C11H15NOS — CID 832420

IUPAC1-(benzenesulfinyl)piperidine
SMILESO=S(c1ccccc1)N1CCCCC1
InChIInChI=1S/C11H15NOS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyLBRJCAJLGAXDKP-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.20
Rot. Bonds2

About 1-(benzenesulfinyl)piperidine

1-(benzenesulfinyl)piperidine (PubChem CID 832420) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(benzenesulfinyl)piperidine.

Molecular Properties

Compound Name1-(benzenesulfinyl)piperidine
PubChem CID832420
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(benzenesulfinyl)piperidine
SMILESO=S(c1ccccc1)N1CCCCC1
InChIInChI=1S/C11H15NOS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyLBRJCAJLGAXDKP-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
N,N-Diethylbenzenesulfonamide
CID 74367
1-(Phenylsulfonyl)piperidine
CID 78733
n,n-Dibutylbenzenesulfonamide
CID 220596
1-(Phenylsulfonyl)pyrrolidine
CID 246138
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
1-[4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166875
N-butyl-N-ethylbenzenesulfonamide
CID 2164635
2-Ethyl-1-(phenylsulfonyl)piperidine
CID 2839599
N,N-Diethyl-3-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 3214671

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)piperidine?
The IUPAC name of 1-(benzenesulfinyl)piperidine (CID 832420) is 1-(benzenesulfinyl)piperidine.
What is the SMILES notation for 1-(benzenesulfinyl)piperidine?
The canonical SMILES for 1-(benzenesulfinyl)piperidine is O=S(c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-(benzenesulfinyl)piperidine?
The InChIKey is LBRJCAJLGAXDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 1-(benzenesulfinyl)piperidine?
1-(benzenesulfinyl)piperidine has a molecular weight of 209.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)piperidine is sourced from PubChem (CID 832420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).