2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine

C9H20F3N3O2S — CID 114145477

IUPAC2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
SMILESCCCC(CCN)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-2-3-8(4-5-13)6-14-18(16,17)15-7-9(10,11)12/h8,14-15H,2-7,13H2,1H3
InChIKeyHVVQFPOBSBYDEG-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.74
Rot. Bonds9

About 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine

2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine (PubChem CID 114145477) has the molecular formula C9H20F3N3O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
PubChem CID114145477
Molecular FormulaC9H20F3N3O2S
Molecular Weight291.34 g/mol
Exact Mass291.12
IUPAC Name2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
SMILESCCCC(CCN)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-2-3-8(4-5-13)6-14-18(16,17)15-7-9(10,11)12/h8,14-15H,2-7,13H2,1H3
InChIKeyHVVQFPOBSBYDEG-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(Sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
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3-[(Trifluoromethoxysulfinylamino)methyl]nonane
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N-(2-Ethylhexyl)trifluoromethanesulfonamide
CID 101696867
3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 102913101
N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106116361
N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106116380
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125410
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine?
The IUPAC name of 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine (CID 114145477) is 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine.
What is the SMILES notation for 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine?
The canonical SMILES for 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine is CCCC(CCN)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine?
The InChIKey is HVVQFPOBSBYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F3N3O2S/c1-2-3-8(4-5-13)6-14-18(16,17)15-7-9(10,11)12/h8,14-15H,2-7,13H2,1H3.
What are the key properties of 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine?
2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine has a molecular weight of 291.34 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine is sourced from PubChem (CID 114145477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).