2-chloro-6-methylsulfanylpiperidine

C6H12ClNS — CID 174760000

IUPAC2-chloro-6-methylsulfanylpiperidine
SMILESCSC1CCCC(Cl)N1
InChIInChI=1S/C6H12ClNS/c1-9-6-4-2-3-5(7)8-6/h5-6,8H,2-4H2,1H3
InChIKeyWZHBTIDDQHFWCY-UHFFFAOYSA-N
MW165.69 g/mol
LogP2.01
Rot. Bonds1

About 2-chloro-6-methylsulfanylpiperidine

2-chloro-6-methylsulfanylpiperidine (PubChem CID 174760000) has the molecular formula C6H12ClNS and a molecular weight of 165.69 g/mol. Its IUPAC name is 2-chloro-6-methylsulfanylpiperidine.

Molecular Properties

Compound Name2-chloro-6-methylsulfanylpiperidine
PubChem CID174760000
Molecular FormulaC6H12ClNS
Molecular Weight165.69 g/mol
Exact Mass165.04
IUPAC Name2-chloro-6-methylsulfanylpiperidine
SMILESCSC1CCCC(Cl)N1
InChIInChI=1S/C6H12ClNS/c1-9-6-4-2-3-5(7)8-6/h5-6,8H,2-4H2,1H3
InChIKeyWZHBTIDDQHFWCY-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.69
LogP ≤ 52.01
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-chloro-6-methylsulfanylpiperidine?
The IUPAC name of 2-chloro-6-methylsulfanylpiperidine (CID 174760000) is 2-chloro-6-methylsulfanylpiperidine.
What is the SMILES notation for 2-chloro-6-methylsulfanylpiperidine?
The canonical SMILES for 2-chloro-6-methylsulfanylpiperidine is CSC1CCCC(Cl)N1.
What is the InChIKey of 2-chloro-6-methylsulfanylpiperidine?
The InChIKey is WZHBTIDDQHFWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNS/c1-9-6-4-2-3-5(7)8-6/h5-6,8H,2-4H2,1H3.
What are the key properties of 2-chloro-6-methylsulfanylpiperidine?
2-chloro-6-methylsulfanylpiperidine has a molecular weight of 165.69 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylsulfanylpiperidine is sourced from PubChem (CID 174760000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).