[1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C15H29FN2O3S — CID 168676397

IUPAC[1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNCCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H29FN2O3S/c16-22(20,21)13-14-11-15(19)18(12-14)10-8-6-4-2-1-3-5-7-9-17/h14H,1-13,17H2
InChIKeyUDOXXOWJASSXSS-UHFFFAOYSA-N
MW336.47 g/mol
LogP2.21
Rot. Bonds12

About [1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676397) has the molecular formula C15H29FN2O3S and a molecular weight of 336.47 g/mol. Its IUPAC name is [1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676397
Molecular FormulaC15H29FN2O3S
Molecular Weight336.47 g/mol
Exact Mass336.19
IUPAC Name[1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNCCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H29FN2O3S/c16-22(20,21)13-14-11-15(19)18(12-14)10-8-6-4-2-1-3-5-7-9-17/h14H,1-13,17H2
InChIKeyUDOXXOWJASSXSS-UHFFFAOYSA-N
XLogP2.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 52.21
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-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676397) is [1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is NCCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UDOXXOWJASSXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O3S/c16-22(20,21)13-14-11-15(19)18(12-14)10-8-6-4-2-1-3-5-7-9-17/h14H,1-13,17H2.
What are the key properties of [1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 336.47 g/mol, XLogP of 2.21, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(10-aminodecyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).