4-phenylsulfanylpiperidine

C11H15NS — CID 3731865

IUPAC4-phenylsulfanylpiperidine
SMILESc1ccc(SC2CCNCC2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKeyCMFUYNUDGNDTGC-UHFFFAOYSA-N
MW193.32 g/mol
LogP2.53
Rot. Bonds2

About 4-phenylsulfanylpiperidine

4-phenylsulfanylpiperidine (PubChem CID 3731865) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 4-phenylsulfanylpiperidine.

Molecular Properties

Compound Name4-phenylsulfanylpiperidine
PubChem CID3731865
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name4-phenylsulfanylpiperidine
SMILESc1ccc(SC2CCNCC2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKeyCMFUYNUDGNDTGC-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-2-aminoethyl sulfide
CID 37013
N-ethyl-N'-[3-[3-(2-phenylsulfanylethylamino)propylamino]propyl]propane-1,3-diamine
CID 16047998
Phenylthiopropylamine
CID 150958
Ethanamine, 2-(phenylthio)-, hydrochloride
CID 37012
N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine
CID 134131930
2-(2-(Phenylsulfonyl)ethyl)piperidine hydrochloride
CID 24747372
4-(Phenylthio)butan-1-amine
CID 14708924
5-(Phenylthio)pentan-1-amine
CID 15227684
2-(Phenylsulfanyl)propan-1-amine
CID 21504222
N-cyclopentyl-N-[4-(phenylsulfanyl)butyl]amine
CID 1825662
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
2-(Phenylthio)-N-(2-(pyrrolidin-1-yl)ethyl)ethan-1-amine
CID 112722440

Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanylpiperidine?
The IUPAC name of 4-phenylsulfanylpiperidine (CID 3731865) is 4-phenylsulfanylpiperidine.
What is the SMILES notation for 4-phenylsulfanylpiperidine?
The canonical SMILES for 4-phenylsulfanylpiperidine is c1ccc(SC2CCNCC2)cc1.
What is the InChIKey of 4-phenylsulfanylpiperidine?
The InChIKey is CMFUYNUDGNDTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2.
What are the key properties of 4-phenylsulfanylpiperidine?
4-phenylsulfanylpiperidine has a molecular weight of 193.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanylpiperidine is sourced from PubChem (CID 3731865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).