(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine

C12H15Cl2NS — CID 96879943

IUPAC(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
SMILESClc1cccc(Cl)c1SC[C@@H]1CCCNC1
InChIInChI=1S/C12H15Cl2NS/c13-10-4-1-5-11(14)12(10)16-8-9-3-2-6-15-7-9/h1,4-5,9,15H,2-3,6-8H2/t9-/m1/s1
InChIKeyHVAZFZURIKESEP-SECBINFHSA-N
MW276.23 g/mol
LogP4.09
Rot. Bonds3

About (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine

(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine (PubChem CID 96879943) has the molecular formula C12H15Cl2NS and a molecular weight of 276.23 g/mol. Its IUPAC name is (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
PubChem CID96879943
Molecular FormulaC12H15Cl2NS
Molecular Weight276.23 g/mol
Exact Mass275.03
IUPAC Name(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
SMILESClc1cccc(Cl)c1SC[C@@H]1CCCNC1
InChIInChI=1S/C12H15Cl2NS/c13-10-4-1-5-11(14)12(10)16-8-9-3-2-6-15-7-9/h1,4-5,9,15H,2-3,6-8H2/t9-/m1/s1
InChIKeyHVAZFZURIKESEP-SECBINFHSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine
CID 97163686
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
3-(methylsulfanylmethyl)piperidine
CID 22276228
4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
CID 97162667
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716656
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
CID 169179223
2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline
CID 97178445

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine?
The IUPAC name of (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine (CID 96879943) is (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine.
What is the SMILES notation for (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine?
The canonical SMILES for (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine is Clc1cccc(Cl)c1SC[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine?
The InChIKey is HVAZFZURIKESEP-SECBINFHSA-N. The full InChI is InChI=1S/C12H15Cl2NS/c13-10-4-1-5-11(14)12(10)16-8-9-3-2-6-15-7-9/h1,4-5,9,15H,2-3,6-8H2/t9-/m1/s1.
What are the key properties of (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine?
(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine has a molecular weight of 276.23 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine is sourced from PubChem (CID 96879943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).