[5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride

C14H24FNO3S — CID 168674624

IUPAC[5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CC(N2CC(CS(=O)(=O)F)CC2=O)CC(C)(C)C1
InChIInChI=1S/C14H24FNO3S/c1-10-4-12(7-14(2,3)6-10)16-8-11(5-13(16)17)9-20(15,18)19/h10-12H,4-9H2,1-3H3
InChIKeyUAZRSYRZLSOCBM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.35
Rot. Bonds3

About [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674624) has the molecular formula C14H24FNO3S and a molecular weight of 305.42 g/mol. Its IUPAC name is [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674624
Molecular FormulaC14H24FNO3S
Molecular Weight305.42 g/mol
Exact Mass305.15
IUPAC Name[5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CC(N2CC(CS(=O)(=O)F)CC2=O)CC(C)(C)C1
InChIInChI=1S/C14H24FNO3S/c1-10-4-12(7-14(2,3)6-10)16-8-11(5-13(16)17)9-20(15,18)19/h10-12H,4-9H2,1-3H3
InChIKeyUAZRSYRZLSOCBM-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674624) is [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride is CC1CC(N2CC(CS(=O)(=O)F)CC2=O)CC(C)(C)C1.
What is the InChIKey of [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UAZRSYRZLSOCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO3S/c1-10-4-12(7-14(2,3)6-10)16-8-11(5-13(16)17)9-20(15,18)19/h10-12H,4-9H2,1-3H3.
What are the key properties of [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 305.42 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).