3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine

C15H22ClNO3S — CID 46743856

IUPAC3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCCC(OCc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNO3S/c1-12(2)21(18,19)17-9-5-7-14(10-17)20-11-13-6-3-4-8-15(13)16/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3
InChIKeyNBMKCYCGOWICHH-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.06
Rot. Bonds5

About 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine

3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine (PubChem CID 46743856) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine
PubChem CID46743856
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCCC(OCc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNO3S/c1-12(2)21(18,19)17-9-5-7-14(10-17)20-11-13-6-3-4-8-15(13)16/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3
InChIKeyNBMKCYCGOWICHH-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine
CID 46354306
2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
CID 46028843
[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028836
3-[3-[(2-chlorophenyl)methoxy]azetidin-1-yl]sulfonylbenzonitrile
CID 53089803
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
2-[4-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-yl]propanoic acid
CID 19874234
2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine
CID 131944267
1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
CID 42844226
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
3-ethyl-1-propan-2-ylsulfonylpiperidine
CID 59266027
(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 138562996

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine (CID 46743856) is 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine is CC(C)S(=O)(=O)N1CCCC(OCc2ccccc2Cl)C1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine?
The InChIKey is NBMKCYCGOWICHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-12(2)21(18,19)17-9-5-7-14(10-17)20-11-13-6-3-4-8-15(13)16/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine?
3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine has a molecular weight of 331.87 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 46743856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).