3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine

C12H17NO3S — CID 175708533

IUPAC3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine
SMILESCS(=O)(=O)CCC(c1cccnc1)C1COC1
InChIInChI=1S/C12H17NO3S/c1-17(14,15)6-4-12(11-8-16-9-11)10-3-2-5-13-7-10/h2-3,5,7,11-12H,4,6,8-9H2,1H3
InChIKeyTWYWQACYCRPZIQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.25
Rot. Bonds5

About 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine

3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine (PubChem CID 175708533) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine.

Molecular Properties

Compound Name3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine
PubChem CID175708533
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine
SMILESCS(=O)(=O)CCC(c1cccnc1)C1COC1
InChIInChI=1S/C12H17NO3S/c1-17(14,15)6-4-12(11-8-16-9-11)10-3-2-5-13-7-10/h2-3,5,7,11-12H,4,6,8-9H2,1H3
InChIKeyTWYWQACYCRPZIQ-UHFFFAOYSA-N
XLogP1.25
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 62604364
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
CID 128502716
4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 65098166
3-[1-(oxiran-2-yl)ethyl]pyridine
CID 22465341
1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81405088
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940
3-(1-piperidin-4-ylpropyl)pyridine
CID 83908701
[cyclopropyl(pyridin-3-yl)methyl]hydrazine
CID 89323342

Frequently Asked Questions

What is the IUPAC name of 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine?
The IUPAC name of 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine (CID 175708533) is 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine.
What is the SMILES notation for 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine?
The canonical SMILES for 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine is CS(=O)(=O)CCC(c1cccnc1)C1COC1.
What is the InChIKey of 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine?
The InChIKey is TWYWQACYCRPZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-17(14,15)6-4-12(11-8-16-9-11)10-3-2-5-13-7-10/h2-3,5,7,11-12H,4,6,8-9H2,1H3.
What are the key properties of 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine?
3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine has a molecular weight of 255.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine is sourced from PubChem (CID 175708533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).