1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine

C7H14F3N3O2S — CID 114810698

IUPAC1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)4-12-16(14,15)13-6-3-1-2-5(6)11/h5-6,12-13H,1-4,11H2
InChIKeyJOJPSAWSAIITFO-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.15
Rot. Bonds4

About 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine

1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine (PubChem CID 114810698) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine
PubChem CID114810698
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)4-12-16(14,15)13-6-3-1-2-5(6)11/h5-6,12-13H,1-4,11H2
InChIKeyJOJPSAWSAIITFO-UHFFFAOYSA-N
XLogP-0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine (CID 114810698) is 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine is NC1CCCC1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine?
The InChIKey is JOJPSAWSAIITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)4-12-16(14,15)13-6-3-1-2-5(6)11/h5-6,12-13H,1-4,11H2.
What are the key properties of 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine?
1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine has a molecular weight of 261.27 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 114810698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).