1-chloro-2-methylsulfanylpiperidine

C6H12ClNS — CID 174662650

IUPAC1-chloro-2-methylsulfanylpiperidine
SMILESCSC1CCCCN1Cl
InChIInChI=1S/C6H12ClNS/c1-9-6-4-2-3-5-8(6)7/h6H,2-5H2,1H3
InChIKeyOVGHWDVHJDFTIZ-UHFFFAOYSA-N
MW165.69 g/mol
LogP2.32
Rot. Bonds1

About 1-chloro-2-methylsulfanylpiperidine

1-chloro-2-methylsulfanylpiperidine (PubChem CID 174662650) has the molecular formula C6H12ClNS and a molecular weight of 165.69 g/mol. Its IUPAC name is 1-chloro-2-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-chloro-2-methylsulfanylpiperidine
PubChem CID174662650
Molecular FormulaC6H12ClNS
Molecular Weight165.69 g/mol
Exact Mass165.04
IUPAC Name1-chloro-2-methylsulfanylpiperidine
SMILESCSC1CCCCN1Cl
InChIInChI=1S/C6H12ClNS/c1-9-6-4-2-3-5-8(6)7/h6H,2-5H2,1H3
InChIKeyOVGHWDVHJDFTIZ-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.69
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylsulfanylpiperidine?
The IUPAC name of 1-chloro-2-methylsulfanylpiperidine (CID 174662650) is 1-chloro-2-methylsulfanylpiperidine.
What is the SMILES notation for 1-chloro-2-methylsulfanylpiperidine?
The canonical SMILES for 1-chloro-2-methylsulfanylpiperidine is CSC1CCCCN1Cl.
What is the InChIKey of 1-chloro-2-methylsulfanylpiperidine?
The InChIKey is OVGHWDVHJDFTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNS/c1-9-6-4-2-3-5-8(6)7/h6H,2-5H2,1H3.
What are the key properties of 1-chloro-2-methylsulfanylpiperidine?
1-chloro-2-methylsulfanylpiperidine has a molecular weight of 165.69 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylsulfanylpiperidine is sourced from PubChem (CID 174662650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).