2-chloro-4-piperidin-3-ylsulfonylpyrimidine

C9H12ClN3O2S — CID 71640194

IUPAC2-chloro-4-piperidin-3-ylsulfonylpyrimidine
SMILESO=S(=O)(c1ccnc(Cl)n1)C1CCCNC1
InChIInChI=1S/C9H12ClN3O2S/c10-9-12-5-3-8(13-9)16(14,15)7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2
InChIKeyKFUWYKMGXPBEPL-UHFFFAOYSA-N
MW261.73 g/mol
LogP0.66
Rot. Bonds2

About 2-chloro-4-piperidin-3-ylsulfonylpyrimidine

2-chloro-4-piperidin-3-ylsulfonylpyrimidine (PubChem CID 71640194) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-chloro-4-piperidin-3-ylsulfonylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-piperidin-3-ylsulfonylpyrimidine
PubChem CID71640194
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name2-chloro-4-piperidin-3-ylsulfonylpyrimidine
SMILESO=S(=O)(c1ccnc(Cl)n1)C1CCCNC1
InChIInChI=1S/C9H12ClN3O2S/c10-9-12-5-3-8(13-9)16(14,15)7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2
InChIKeyKFUWYKMGXPBEPL-UHFFFAOYSA-N
XLogP0.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71640189
3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
CID 97163638
2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
CID 97178191
2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
CID 97165864
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71640088
3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
CID 97162930
4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71639166
2-chloro-4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97163773
3-bromo-2-piperidin-3-ylsulfonylpyridine;hydrochloride
CID 90319707
5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71643530
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine
CID 71641741

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-3-ylsulfonylpyrimidine?
The IUPAC name of 2-chloro-4-piperidin-3-ylsulfonylpyrimidine (CID 71640194) is 2-chloro-4-piperidin-3-ylsulfonylpyrimidine.
What is the SMILES notation for 2-chloro-4-piperidin-3-ylsulfonylpyrimidine?
The canonical SMILES for 2-chloro-4-piperidin-3-ylsulfonylpyrimidine is O=S(=O)(c1ccnc(Cl)n1)C1CCCNC1.
What is the InChIKey of 2-chloro-4-piperidin-3-ylsulfonylpyrimidine?
The InChIKey is KFUWYKMGXPBEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-9-12-5-3-8(13-9)16(14,15)7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2.
What are the key properties of 2-chloro-4-piperidin-3-ylsulfonylpyrimidine?
2-chloro-4-piperidin-3-ylsulfonylpyrimidine has a molecular weight of 261.73 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-3-ylsulfonylpyrimidine is sourced from PubChem (CID 71640194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).