4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride

C10H15Cl2N3O2S — CID 71639166

IUPAC4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
SMILESCc1cc(Cl)nc(S(=O)(=O)C2CCCNC2)n1.Cl
InChIInChI=1S/C10H14ClN3O2S.ClH/c1-7-5-9(11)14-10(13-7)17(15,16)8-3-2-4-12-6-8;/h5,8,12H,2-4,6H2,1H3;1H
InChIKeyOOFLISFVNBJELS-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.39
Rot. Bonds2

About 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride

4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride (PubChem CID 71639166) has the molecular formula C10H15Cl2N3O2S and a molecular weight of 312.22 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
PubChem CID71639166
Molecular FormulaC10H15Cl2N3O2S
Molecular Weight312.22 g/mol
Exact Mass311.03
IUPAC Name4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
SMILESCc1cc(Cl)nc(S(=O)(=O)C2CCCNC2)n1.Cl
InChIInChI=1S/C10H14ClN3O2S.ClH/c1-7-5-9(11)14-10(13-7)17(15,16)8-3-2-4-12-6-8;/h5,8,12H,2-4,6H2,1H3;1H
InChIKeyOOFLISFVNBJELS-UHFFFAOYSA-N
XLogP1.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71639162
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
CID 71638314
5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71640088
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71643530
4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride
CID 71638492
4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine
CID 71639181
2-chloro-4-piperidin-3-ylsulfonylpyrimidine
CID 71640194
tert-butyl (3S)-3-(4-chloro-6-methylpyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97176770
3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
CID 97162930
3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
CID 97163638
4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride
CID 71640856

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
The IUPAC name of 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride (CID 71639166) is 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride.
What is the SMILES notation for 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
The canonical SMILES for 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride is Cc1cc(Cl)nc(S(=O)(=O)C2CCCNC2)n1.Cl.
What is the InChIKey of 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
The InChIKey is OOFLISFVNBJELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S.ClH/c1-7-5-9(11)14-10(13-7)17(15,16)8-3-2-4-12-6-8;/h5,8,12H,2-4,6H2,1H3;1H.
What are the key properties of 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride?
4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride has a molecular weight of 312.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride is sourced from PubChem (CID 71639166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).