2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine

C11H16ClN3O2S — CID 104967307

IUPAC2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H16ClN3O2S/c1-8-4-3-5-9(2)15(8)18(16,17)10-6-13-11(12)14-7-10/h6-9H,3-5H2,1-2H3/t8-,9+
InChIKeyNEXWJBMVCJZGHA-DTORHVGOSA-N
MW289.79 g/mol
LogP2.08
Rot. Bonds2

About 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine

2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine (PubChem CID 104967307) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine
PubChem CID104967307
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H16ClN3O2S/c1-8-4-3-5-9(2)15(8)18(16,17)10-6-13-11(12)14-7-10/h6-9H,3-5H2,1-2H3/t8-,9+
InChIKeyNEXWJBMVCJZGHA-DTORHVGOSA-N
XLogP2.08
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
CID 60974393
5-(2,6-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62149622
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-(2-chloropyrimidin-5-yl)sulfonyl-4-methylazepane
CID 55249605
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 168583916
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339
2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoic acid
CID 30053258
5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloropyrimidine
CID 62090054
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine?
The IUPAC name of 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine (CID 104967307) is 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine.
What is the SMILES notation for 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine?
The canonical SMILES for 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine?
The InChIKey is NEXWJBMVCJZGHA-DTORHVGOSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-8-4-3-5-9(2)15(8)18(16,17)10-6-13-11(12)14-7-10/h6-9H,3-5H2,1-2H3/t8-,9+.
What are the key properties of 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine?
2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine has a molecular weight of 289.79 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyrimidine is sourced from PubChem (CID 104967307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).