[1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C16H27FN2O3S — CID 168674958

IUPAC[1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C16H27FN2O3S/c17-23(21,22)12-14-8-16(20)19(11-14)10-13-4-3-7-18(9-13)15-5-1-2-6-15/h13-15H,1-12H2
InChIKeyTUEPCDOCBKRCHH-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.79
Rot. Bonds5

About [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674958) has the molecular formula C16H27FN2O3S and a molecular weight of 346.47 g/mol. Its IUPAC name is [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674958
Molecular FormulaC16H27FN2O3S
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name[1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C16H27FN2O3S/c17-23(21,22)12-14-8-16(20)19(11-14)10-13-4-3-7-18(9-13)15-5-1-2-6-15/h13-15H,1-12H2
InChIKeyTUEPCDOCBKRCHH-UHFFFAOYSA-N
XLogP1.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674958) is [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CC1CCCN(C2CCCC2)C1.
What is the InChIKey of [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is TUEPCDOCBKRCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O3S/c17-23(21,22)12-14-8-16(20)19(11-14)10-13-4-3-7-18(9-13)15-5-1-2-6-15/h13-15H,1-12H2.
What are the key properties of [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 346.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).