cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone

C15H20N2O3S — CID 95853849

IUPACcyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cccnc1[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)13-5-2-8-16-14(13)12-4-3-9-17(10-12)15(18)11-6-7-11/h2,5,8,11-12H,3-4,6-7,9-10H2,1H3/t12-/m1/s1
InChIKeyBRFBPVVMMMOEHK-GFCCVEGCSA-N
MW308.40 g/mol
LogP1.60
Rot. Bonds3

About cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone

cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 95853849) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID95853849
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Namecyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cccnc1[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)13-5-2-8-16-14(13)12-4-3-9-17(10-12)15(18)11-6-7-11/h2,5,8,11-12H,3-4,6-7,9-10H2,1H3/t12-/m1/s1
InChIKeyBRFBPVVMMMOEHK-GFCCVEGCSA-N
XLogP1.60
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone
CID 110234282
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 110234267
1-(2-methoxyethyl)-4-[4-(3-methylsulfonyl-2-pyridinyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 46954952
(2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
CID 92603244
[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110214384
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
isoquinolin-1-yl-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 92603256
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
1-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one
CID 110221467
furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95802825
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone (CID 95853849) is cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone is CS(=O)(=O)c1cccnc1[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is BRFBPVVMMMOEHK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-21(19,20)13-5-2-8-16-14(13)12-4-3-9-17(10-12)15(18)11-6-7-11/h2,5,8,11-12H,3-4,6-7,9-10H2,1H3/t12-/m1/s1.
What are the key properties of cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone?
cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 308.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95853849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).