4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine

C19H29NO2S — CID 71653289

IUPAC4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(S(=O)(=O)C3CCCC3)c2)CC1
InChIInChI=1S/C19H29NO2S/c1-2-12-20-13-10-16(11-14-20)17-6-5-9-19(15-17)23(21,22)18-7-3-4-8-18/h5-6,9,15-16,18H,2-4,7-8,10-14H2,1H3
InChIKeyYICMRDZOCUCKAX-UHFFFAOYSA-N
MW335.51 g/mol
LogP3.99
Rot. Bonds5

About 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine

4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine (PubChem CID 71653289) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine
PubChem CID71653289
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Name4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(S(=O)(=O)C3CCCC3)c2)CC1
InChIInChI=1S/C19H29NO2S/c1-2-12-20-13-10-16(11-14-20)17-6-5-9-19(15-17)23(21,22)18-7-3-4-8-18/h5-6,9,15-16,18H,2-4,7-8,10-14H2,1H3
InChIKeyYICMRDZOCUCKAX-UHFFFAOYSA-N
XLogP3.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine?
The IUPAC name of 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine (CID 71653289) is 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine.
What is the SMILES notation for 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine?
The canonical SMILES for 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine is CCCN1CCC(c2cccc(S(=O)(=O)C3CCCC3)c2)CC1.
What is the InChIKey of 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine?
The InChIKey is YICMRDZOCUCKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-2-12-20-13-10-16(11-14-20)17-6-5-9-19(15-17)23(21,22)18-7-3-4-8-18/h5-6,9,15-16,18H,2-4,7-8,10-14H2,1H3.
What are the key properties of 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine?
4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine has a molecular weight of 335.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylsulfonylphenyl)-1-propylpiperidine is sourced from PubChem (CID 71653289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).