2-(6-methylsulfanylhexyl)pyrrolidine

C11H23NS — CID 142507484

IUPAC2-(6-methylsulfanylhexyl)pyrrolidine
SMILESCSCCCCCCC1CCCN1
InChIInChI=1S/C11H23NS/c1-13-10-5-3-2-4-7-11-8-6-9-12-11/h11-12H,2-10H2,1H3
InChIKeyJANNAWNNFGAFBZ-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.05
Rot. Bonds7

About 2-(6-methylsulfanylhexyl)pyrrolidine

2-(6-methylsulfanylhexyl)pyrrolidine (PubChem CID 142507484) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-(6-methylsulfanylhexyl)pyrrolidine.

Molecular Properties

Compound Name2-(6-methylsulfanylhexyl)pyrrolidine
PubChem CID142507484
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-(6-methylsulfanylhexyl)pyrrolidine
SMILESCSCCCCCCC1CCCN1
InChIInChI=1S/C11H23NS/c1-13-10-5-3-2-4-7-11-8-6-9-12-11/h11-12H,2-10H2,1H3
InChIKeyJANNAWNNFGAFBZ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanylhexyl)pyrrolidine?
The IUPAC name of 2-(6-methylsulfanylhexyl)pyrrolidine (CID 142507484) is 2-(6-methylsulfanylhexyl)pyrrolidine.
What is the SMILES notation for 2-(6-methylsulfanylhexyl)pyrrolidine?
The canonical SMILES for 2-(6-methylsulfanylhexyl)pyrrolidine is CSCCCCCCC1CCCN1.
What is the InChIKey of 2-(6-methylsulfanylhexyl)pyrrolidine?
The InChIKey is JANNAWNNFGAFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-13-10-5-3-2-4-7-11-8-6-9-12-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-(6-methylsulfanylhexyl)pyrrolidine?
2-(6-methylsulfanylhexyl)pyrrolidine has a molecular weight of 201.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanylhexyl)pyrrolidine is sourced from PubChem (CID 142507484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).