bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene

C22H43N3S — CID 159226924

IUPACbis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCCC1.Cc1cccs1
InChIInChI=1S/2C6H13N.C5H11N.C5H6S/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-6-5/h2*2-6H2,1H3;2-5H2,1H3;2-4H,1H3
InChIKeyKSKDXSQNROHDBX-UHFFFAOYSA-N
MW381.67 g/mol
LogP4.97
Rot. Bonds

About bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene

bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene (PubChem CID 159226924) has the molecular formula C22H43N3S and a molecular weight of 381.67 g/mol. Its IUPAC name is bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene.

Molecular Properties

Compound Namebis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene
PubChem CID159226924
Molecular FormulaC22H43N3S
Molecular Weight381.67 g/mol
Exact Mass381.32
IUPAC Namebis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCCC1.Cc1cccs1
InChIInChI=1S/2C6H13N.C5H11N.C5H6S/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-6-5/h2*2-6H2,1H3;2-5H2,1H3;2-4H,1H3
InChIKeyKSKDXSQNROHDBX-UHFFFAOYSA-N
XLogP4.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.67
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene?
The IUPAC name of bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene (CID 159226924) is bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene.
What is the SMILES notation for bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene?
The canonical SMILES for bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene is CN1CCCC1.CN1CCCCC1.CN1CCCCC1.Cc1cccs1.
What is the InChIKey of bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene?
The InChIKey is KSKDXSQNROHDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.C5H11N.C5H6S/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-6-5/h2*2-6H2,1H3;2-5H2,1H3;2-4H,1H3.
What are the key properties of bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene?
bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene has a molecular weight of 381.67 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylpiperidine);1-methylpyrrolidine;2-methylthiophene is sourced from PubChem (CID 159226924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).