2,4-dichloro-6-methylsulfanylpiperidine

C6H11Cl2NS — CID 141299403

IUPAC2,4-dichloro-6-methylsulfanylpiperidine
SMILESCSC1CC(Cl)CC(Cl)N1
InChIInChI=1S/C6H11Cl2NS/c1-10-6-3-4(7)2-5(8)9-6/h4-6,9H,2-3H2,1H3
InChIKeyNCUXEBDNIWXESD-UHFFFAOYSA-N
MW200.13 g/mol
LogP2.23
Rot. Bonds1

About 2,4-dichloro-6-methylsulfanylpiperidine

2,4-dichloro-6-methylsulfanylpiperidine (PubChem CID 141299403) has the molecular formula C6H11Cl2NS and a molecular weight of 200.13 g/mol. Its IUPAC name is 2,4-dichloro-6-methylsulfanylpiperidine.

Molecular Properties

Compound Name2,4-dichloro-6-methylsulfanylpiperidine
PubChem CID141299403
Molecular FormulaC6H11Cl2NS
Molecular Weight200.13 g/mol
Exact Mass199.00
IUPAC Name2,4-dichloro-6-methylsulfanylpiperidine
SMILESCSC1CC(Cl)CC(Cl)N1
InChIInChI=1S/C6H11Cl2NS/c1-10-6-3-4(7)2-5(8)9-6/h4-6,9H,2-3H2,1H3
InChIKeyNCUXEBDNIWXESD-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methylsulfanylpiperidine?
The IUPAC name of 2,4-dichloro-6-methylsulfanylpiperidine (CID 141299403) is 2,4-dichloro-6-methylsulfanylpiperidine.
What is the SMILES notation for 2,4-dichloro-6-methylsulfanylpiperidine?
The canonical SMILES for 2,4-dichloro-6-methylsulfanylpiperidine is CSC1CC(Cl)CC(Cl)N1.
What is the InChIKey of 2,4-dichloro-6-methylsulfanylpiperidine?
The InChIKey is NCUXEBDNIWXESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NS/c1-10-6-3-4(7)2-5(8)9-6/h4-6,9H,2-3H2,1H3.
What are the key properties of 2,4-dichloro-6-methylsulfanylpiperidine?
2,4-dichloro-6-methylsulfanylpiperidine has a molecular weight of 200.13 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methylsulfanylpiperidine is sourced from PubChem (CID 141299403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).