5-(trifluoromethylsulfonyl)pentan-1-amine

C6H12F3NO2S — CID 87227705

IUPAC5-(trifluoromethylsulfonyl)pentan-1-amine
SMILESNCCCCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c7-6(8,9)13(11,12)5-3-1-2-4-10/h1-5,10H2
InChIKeyWHRBGHGUPZHTJR-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.05
Rot. Bonds5

About 5-(trifluoromethylsulfonyl)pentan-1-amine

5-(trifluoromethylsulfonyl)pentan-1-amine (PubChem CID 87227705) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is 5-(trifluoromethylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name5-(trifluoromethylsulfonyl)pentan-1-amine
PubChem CID87227705
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC Name5-(trifluoromethylsulfonyl)pentan-1-amine
SMILESNCCCCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c7-6(8,9)13(11,12)5-3-1-2-4-10/h1-5,10H2
InChIKeyWHRBGHGUPZHTJR-UHFFFAOYSA-N
XLogP1.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
9-methylsulfonylnonan-1-amine
CID 101417644
5-ethylsulfonylpentan-1-amine
CID 54172156
3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
sodium;4-aminobutane-1-sulfonic acid;hydride
CID 173095969
potassium 5-aminopentane-1-sulfonate
CID 139697240
5-(2-aminoethylsulfonylsulfonyl)pentan-1-amine;dihydrochloride
CID 88753098
4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
1-(trifluoromethylsulfonylmethylsulfonyl)ethane
CID 123864509

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfonyl)pentan-1-amine?
The IUPAC name of 5-(trifluoromethylsulfonyl)pentan-1-amine (CID 87227705) is 5-(trifluoromethylsulfonyl)pentan-1-amine.
What is the SMILES notation for 5-(trifluoromethylsulfonyl)pentan-1-amine?
The canonical SMILES for 5-(trifluoromethylsulfonyl)pentan-1-amine is NCCCCCS(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-(trifluoromethylsulfonyl)pentan-1-amine?
The InChIKey is WHRBGHGUPZHTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c7-6(8,9)13(11,12)5-3-1-2-4-10/h1-5,10H2.
What are the key properties of 5-(trifluoromethylsulfonyl)pentan-1-amine?
5-(trifluoromethylsulfonyl)pentan-1-amine has a molecular weight of 219.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfonyl)pentan-1-amine is sourced from PubChem (CID 87227705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).