4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride

C10H16ClN3OS — CID 71638994

IUPAC4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride
SMILESCc1ccnc(S(=O)C2CCNCC2)n1.Cl
InChIInChI=1S/C10H15N3OS.ClH/c1-8-2-7-12-10(13-8)15(14)9-3-5-11-6-4-9;/h2,7,9,11H,3-6H2,1H3;1H
InChIKeyWCYPGNGIGQGBQV-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.07
Rot. Bonds2

About 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride

4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride (PubChem CID 71638994) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride
PubChem CID71638994
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride
SMILESCc1ccnc(S(=O)C2CCNCC2)n1.Cl
InChIInChI=1S/C10H15N3OS.ClH/c1-8-2-7-12-10(13-8)15(14)9-3-5-11-6-4-9;/h2,7,9,11H,3-6H2,1H3;1H
InChIKeyWCYPGNGIGQGBQV-UHFFFAOYSA-N
XLogP1.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride?
The IUPAC name of 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride (CID 71638994) is 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride?
The canonical SMILES for 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride is Cc1ccnc(S(=O)C2CCNCC2)n1.Cl.
What is the InChIKey of 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride?
The InChIKey is WCYPGNGIGQGBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS.ClH/c1-8-2-7-12-10(13-8)15(14)9-3-5-11-6-4-9;/h2,7,9,11H,3-6H2,1H3;1H.
What are the key properties of 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride?
4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride has a molecular weight of 261.78 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride is sourced from PubChem (CID 71638994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).