3-(4-cyclopropylsulfonylphenyl)piperidine

C14H19NO2S — CID 117417990

IUPAC3-(4-cyclopropylsulfonylphenyl)piperidine
SMILESO=S(=O)(c1ccc(C2CCCNC2)cc1)C1CC1
InChIInChI=1S/C14H19NO2S/c16-18(17,14-7-8-14)13-5-3-11(4-6-13)12-2-1-9-15-10-12/h3-6,12,14-15H,1-2,7-10H2
InChIKeyCXXCBVTZNFSMHP-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.09
Rot. Bonds3

About 3-(4-cyclopropylsulfonylphenyl)piperidine

3-(4-cyclopropylsulfonylphenyl)piperidine (PubChem CID 117417990) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(4-cyclopropylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name3-(4-cyclopropylsulfonylphenyl)piperidine
PubChem CID117417990
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(4-cyclopropylsulfonylphenyl)piperidine
SMILESO=S(=O)(c1ccc(C2CCCNC2)cc1)C1CC1
InChIInChI=1S/C14H19NO2S/c16-18(17,14-7-8-14)13-5-3-11(4-6-13)12-2-1-9-15-10-12/h3-6,12,14-15H,1-2,7-10H2
InChIKeyCXXCBVTZNFSMHP-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclohexylsulfonylphenyl)azetidine
CID 162745912
2-(4-cyclopropylsulfonylphenyl)morpholine
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CID 24904200
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
1-(4-piperidin-3-ylphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylsulfonylphenyl)piperidine?
The IUPAC name of 3-(4-cyclopropylsulfonylphenyl)piperidine (CID 117417990) is 3-(4-cyclopropylsulfonylphenyl)piperidine.
What is the SMILES notation for 3-(4-cyclopropylsulfonylphenyl)piperidine?
The canonical SMILES for 3-(4-cyclopropylsulfonylphenyl)piperidine is O=S(=O)(c1ccc(C2CCCNC2)cc1)C1CC1.
What is the InChIKey of 3-(4-cyclopropylsulfonylphenyl)piperidine?
The InChIKey is CXXCBVTZNFSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-18(17,14-7-8-14)13-5-3-11(4-6-13)12-2-1-9-15-10-12/h3-6,12,14-15H,1-2,7-10H2.
What are the key properties of 3-(4-cyclopropylsulfonylphenyl)piperidine?
3-(4-cyclopropylsulfonylphenyl)piperidine has a molecular weight of 265.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylsulfonylphenyl)piperidine is sourced from PubChem (CID 117417990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).