4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine

C17H25NO3S — CID 141268685

IUPAC4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine
SMILESCS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCNCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-22(19,20)16-4-2-15(3-5-16)21-11-8-14-12-17(14)13-6-9-18-10-7-13/h2-5,13-14,17-18H,6-12H2,1H3/t14-,17-/m1/s1
InChIKeyCKMWOZCUGPWCHJ-RHSMWYFYSA-N
MW323.46 g/mol
LogP2.49
Rot. Bonds6

About 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine

4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine (PubChem CID 141268685) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine.

Molecular Properties

Compound Name4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine
PubChem CID141268685
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine
SMILESCS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCNCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-22(19,20)16-4-2-15(3-5-16)21-11-8-14-12-17(14)13-6-9-18-10-7-13/h2-5,13-14,17-18H,6-12H2,1H3/t14-,17-/m1/s1
InChIKeyCKMWOZCUGPWCHJ-RHSMWYFYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methylsulfonylphenoxy)ethyl]pyrrolidine
CID 114796528
5-methylsulfonyl-2-[[(1S,2R)-2-piperidin-4-ylcyclopropyl]methoxymethyl]pyridine;hydrochloride
CID 118271996
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
2-[2,6-difluoro-4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]phenyl]-1-(3-fluoroazetidin-1-yl)ethanone
CID 123271309
(1-methylcyclopropyl) 4-[(1R,2S)-2-[2-(4-cyclopropylsulfonylphenoxy)ethyl]cyclopropyl]piperidine-1-carboxylate
CID 70855946
4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine
CID 59862389
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
2-[2-[2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-5-methylsulfonylpyridine
CID 78097518
5-(4-methylsulfonylphenoxy)-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119534985
N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119753806
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
(3R)-3-[2-(4-methylsulfonylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68985680

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine?
The IUPAC name of 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine (CID 141268685) is 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine.
What is the SMILES notation for 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine?
The canonical SMILES for 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine is CS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCNCC2)cc1.
What is the InChIKey of 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine?
The InChIKey is CKMWOZCUGPWCHJ-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-22(19,20)16-4-2-15(3-5-16)21-11-8-14-12-17(14)13-6-9-18-10-7-13/h2-5,13-14,17-18H,6-12H2,1H3/t14-,17-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine?
4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine has a molecular weight of 323.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine is sourced from PubChem (CID 141268685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).