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

C14H25FN2O3S — CID 168676416

IUPAC[1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCNC1CCCCC1
InChIInChI=1S/C14H25FN2O3S/c15-21(19,20)11-12-9-14(18)17(10-12)8-4-7-16-13-5-2-1-3-6-13/h12-13,16H,1-11H2
InChIKeyPTECYKBZYQKCPQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.45
Rot. Bonds7

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

[1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676416) has the molecular formula C14H25FN2O3S and a molecular weight of 320.43 g/mol. Its IUPAC name is [1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676416
Molecular FormulaC14H25FN2O3S
Molecular Weight320.43 g/mol
Exact Mass320.16
IUPAC Name[1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCNC1CCCCC1
InChIInChI=1S/C14H25FN2O3S/c15-21(19,20)11-12-9-14(18)17(10-12)8-4-7-16-13-5-2-1-3-6-13/h12-13,16H,1-11H2
InChIKeyPTECYKBZYQKCPQ-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676416) is [1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCCNC1CCCCC1.
What is the InChIKey of [1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is PTECYKBZYQKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O3S/c15-21(19,20)11-12-9-14(18)17(10-12)8-4-7-16-13-5-2-1-3-6-13/h12-13,16H,1-11H2.
What are the key properties of [1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 320.43 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(cyclohexylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).