N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C14H31FN4O2S — CID 141195094

IUPACN'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNS(=O)(=O)NCCCN1CCC(F)C1
InChIInChI=1S/C14H31FN4O2S/c1-14(2,12-18(3)4)11-17-22(20,21)16-7-5-8-19-9-6-13(15)10-19/h13,16-17H,5-12H2,1-4H3
InChIKeyFKHYGDNBAHAIER-UHFFFAOYSA-N
MW338.49 g/mol
LogP0.43
Rot. Bonds10

About N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 141195094) has the molecular formula C14H31FN4O2S and a molecular weight of 338.49 g/mol. Its IUPAC name is N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID141195094
Molecular FormulaC14H31FN4O2S
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC NameN'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNS(=O)(=O)NCCCN1CCC(F)C1
InChIInChI=1S/C14H31FN4O2S/c1-14(2,12-18(3)4)11-17-22(20,21)16-7-5-8-19-9-6-13(15)10-19/h13,16-17H,5-12H2,1-4H3
InChIKeyFKHYGDNBAHAIER-UHFFFAOYSA-N
XLogP0.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 50.43
H-Bond Donors ≤ 52
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 N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 141195094) is N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNS(=O)(=O)NCCCN1CCC(F)C1.
What is the InChIKey of N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is FKHYGDNBAHAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31FN4O2S/c1-14(2,12-18(3)4)11-17-22(20,21)16-7-5-8-19-9-6-13(15)10-19/h13,16-17H,5-12H2,1-4H3.
What are the key properties of N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 338.49 g/mol, XLogP of 0.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 141195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).