[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone

C15H19ClN2O3S — CID 110234282

IUPAC[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone
SMILESCS(=O)(=O)c1cc(Cl)cnc1C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H19ClN2O3S/c1-22(20,21)13-7-12(16)8-17-14(13)11-3-2-6-18(9-11)15(19)10-4-5-10/h7-8,10-11H,2-6,9H2,1H3
InChIKeyVLTQLSJRCIBUEV-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.25
Rot. Bonds3

About [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone

[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone (PubChem CID 110234282) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone
PubChem CID110234282
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone
SMILESCS(=O)(=O)c1cc(Cl)cnc1C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H19ClN2O3S/c1-22(20,21)13-7-12(16)8-17-14(13)11-3-2-6-18(9-11)15(19)10-4-5-10/h7-8,10-11H,2-6,9H2,1H3
InChIKeyVLTQLSJRCIBUEV-UHFFFAOYSA-N
XLogP2.25
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95853849
5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 95853872
[(3S)-3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
CID 95853889
5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 92595841
5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine
CID 124783682
5-[[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 110234393
5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603095
5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 110234375
5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 110245365
2-[3-[4-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
CID 110221471
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone (CID 110234282) is [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone is CS(=O)(=O)c1cc(Cl)cnc1C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is VLTQLSJRCIBUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-22(20,21)13-7-12(16)8-17-14(13)11-3-2-6-18(9-11)15(19)10-4-5-10/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone?
[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 342.85 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 110234282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).