4-(4-chlorophenyl)sulfanylpiperidine

C11H14ClNS — CID 3755078

IUPAC4-(4-chlorophenyl)sulfanylpiperidine
SMILESClc1ccc(SC2CCNCC2)cc1
InChIInChI=1S/C11H14ClNS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKeyDORGHGOWHFHJPG-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.18
Rot. Bonds2

About 4-(4-chlorophenyl)sulfanylpiperidine

4-(4-chlorophenyl)sulfanylpiperidine (PubChem CID 3755078) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanylpiperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanylpiperidine
PubChem CID3755078
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name4-(4-chlorophenyl)sulfanylpiperidine
SMILESClc1ccc(SC2CCNCC2)cc1
InChIInChI=1S/C11H14ClNS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKeyDORGHGOWHFHJPG-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanylpiperidine?
The IUPAC name of 4-(4-chlorophenyl)sulfanylpiperidine (CID 3755078) is 4-(4-chlorophenyl)sulfanylpiperidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanylpiperidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanylpiperidine is Clc1ccc(SC2CCNCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanylpiperidine?
The InChIKey is DORGHGOWHFHJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2.
What are the key properties of 4-(4-chlorophenyl)sulfanylpiperidine?
4-(4-chlorophenyl)sulfanylpiperidine has a molecular weight of 227.76 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanylpiperidine is sourced from PubChem (CID 3755078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).