[1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C14H23FN2O4S — CID 168676388

IUPAC[1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C(CCN1CC(CS(=O)(=O)F)CC1=O)NC1CCCCC1
InChIInChI=1S/C14H23FN2O4S/c15-22(20,21)10-11-8-14(19)17(9-11)7-6-13(18)16-12-4-2-1-3-5-12/h11-12H,1-10H2,(H,16,18)
InChIKeyYMMASCZRVOWWPF-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.97
Rot. Bonds6

About [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676388) has the molecular formula C14H23FN2O4S and a molecular weight of 334.41 g/mol. Its IUPAC name is [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676388
Molecular FormulaC14H23FN2O4S
Molecular Weight334.41 g/mol
Exact Mass334.14
IUPAC Name[1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C(CCN1CC(CS(=O)(=O)F)CC1=O)NC1CCCCC1
InChIInChI=1S/C14H23FN2O4S/c15-22(20,21)10-11-8-14(19)17(9-11)7-6-13(18)16-12-4-2-1-3-5-12/h11-12H,1-10H2,(H,16,18)
InChIKeyYMMASCZRVOWWPF-UHFFFAOYSA-N
XLogP0.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 177679905
1-cyclohexyl-5-oxo-N-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3-carboxamide
CID 136529323
[1-(2-Aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674649
[1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674655
[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674658
[1-(1-Aminopentan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674791
[1-(3-Aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674792
(5-Oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674952
[1-(Azepan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674953
[5-Oxo-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674964
[5-oxo-1-[(3R)-piperidin-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675021
[5-Oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675135

Frequently Asked Questions

What is the IUPAC name of [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676388) is [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C(CCN1CC(CS(=O)(=O)F)CC1=O)NC1CCCCC1.
What is the InChIKey of [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is YMMASCZRVOWWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O4S/c15-22(20,21)10-11-8-14(19)17(9-11)7-6-13(18)16-12-4-2-1-3-5-12/h11-12H,1-10H2,(H,16,18).
What are the key properties of [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 334.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(cyclohexylamino)-3-oxopropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).