cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone

C15H26N2O3S — CID 97348224

IUPACcyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C15H26N2O3S/c18-15(13-6-1-2-7-13)16-9-5-8-14(12-16)21(19,20)17-10-3-4-11-17/h13-14H,1-12H2/t14-/m0/s1
InChIKeyGZPWRLOUFPHGGJ-AWEZNQCLSA-N
MW314.45 g/mol
LogP1.59
Rot. Bonds3

About cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone

cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone (PubChem CID 97348224) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone
PubChem CID97348224
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Namecyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C15H26N2O3S/c18-15(13-6-1-2-7-13)16-9-5-8-14(12-16)21(19,20)17-10-3-4-11-17/h13-14H,1-12H2/t14-/m0/s1
InChIKeyGZPWRLOUFPHGGJ-AWEZNQCLSA-N
XLogP1.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone (CID 97348224) is cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone?
The InChIKey is GZPWRLOUFPHGGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N2O3S/c18-15(13-6-1-2-7-13)16-9-5-8-14(12-16)21(19,20)17-10-3-4-11-17/h13-14H,1-12H2/t14-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone?
cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone has a molecular weight of 314.45 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 97348224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).