(3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol

C17H31NO3S — CID 128776585

IUPAC(3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol
SMILESO=S(=O)(CCC1CCCC1)N1CC[C@@H](O)[C@H](C2CCCC2)C1
InChIInChI=1S/C17H31NO3S/c19-17-9-11-18(13-16(17)15-7-3-4-8-15)22(20,21)12-10-14-5-1-2-6-14/h14-17,19H,1-13H2/t16-,17+/m0/s1
InChIKeyHAGLXDPLZBNHGU-DLBZAZTESA-N
MW329.51 g/mol
LogP2.77
Rot. Bonds5

About (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol

(3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol (PubChem CID 128776585) has the molecular formula C17H31NO3S and a molecular weight of 329.51 g/mol. Its IUPAC name is (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol
PubChem CID128776585
Molecular FormulaC17H31NO3S
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Name(3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol
SMILESO=S(=O)(CCC1CCCC1)N1CC[C@@H](O)[C@H](C2CCCC2)C1
InChIInChI=1S/C17H31NO3S/c19-17-9-11-18(13-16(17)15-7-3-4-8-15)22(20,21)12-10-14-5-1-2-6-14/h14-17,19H,1-13H2/t16-,17+/m0/s1
InChIKeyHAGLXDPLZBNHGU-DLBZAZTESA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol (CID 128776585) is (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol is O=S(=O)(CCC1CCCC1)N1CC[C@@H](O)[C@H](C2CCCC2)C1.
What is the InChIKey of (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol?
The InChIKey is HAGLXDPLZBNHGU-DLBZAZTESA-N. The full InChI is InChI=1S/C17H31NO3S/c19-17-9-11-18(13-16(17)15-7-3-4-8-15)22(20,21)12-10-14-5-1-2-6-14/h14-17,19H,1-13H2/t16-,17+/m0/s1.
What are the key properties of (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol?
(3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol has a molecular weight of 329.51 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopentyl-1-(2-cyclopentylethylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 128776585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).