5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride

C10H17Cl2N3O2S — CID 71298737

IUPAC5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride
SMILESCS(=O)(=O)c1cncnc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C10H15N3O2S.2ClH/c1-16(14,15)9-6-12-7-13-10(9)8-2-4-11-5-3-8;;/h6-8,11H,2-5H2,1H3;2*1H
InChIKeySIKYLNNQIXDLBW-UHFFFAOYSA-N
MW314.24 g/mol
LogP1.19
Rot. Bonds2

About 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride

5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride (PubChem CID 71298737) has the molecular formula C10H17Cl2N3O2S and a molecular weight of 314.24 g/mol. Its IUPAC name is 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride
PubChem CID71298737
Molecular FormulaC10H17Cl2N3O2S
Molecular Weight314.24 g/mol
Exact Mass313.04
IUPAC Name5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride
SMILESCS(=O)(=O)c1cncnc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C10H15N3O2S.2ClH/c1-16(14,15)9-6-12-7-13-10(9)8-2-4-11-5-3-8;;/h6-8,11H,2-5H2,1H3;2*1H
InChIKeySIKYLNNQIXDLBW-UHFFFAOYSA-N
XLogP1.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride?
The IUPAC name of 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride (CID 71298737) is 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride?
The canonical SMILES for 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride is CS(=O)(=O)c1cncnc1C1CCNCC1.Cl.Cl.
What is the InChIKey of 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride?
The InChIKey is SIKYLNNQIXDLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S.2ClH/c1-16(14,15)9-6-12-7-13-10(9)8-2-4-11-5-3-8;;/h6-8,11H,2-5H2,1H3;2*1H.
What are the key properties of 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride?
5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride has a molecular weight of 314.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 71298737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).