5-(fluoromethylsulfonyl)pentan-1-amine

C6H14FNO2S — CID 84718786

IUPAC5-(fluoromethylsulfonyl)pentan-1-amine
SMILESNCCCCCS(=O)(=O)CF
InChIInChI=1S/C6H14FNO2S/c7-6-11(9,10)5-3-1-2-4-8/h1-6,8H2
InChIKeyQXKUGFIXUKWVEF-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.46
Rot. Bonds6

About 5-(fluoromethylsulfonyl)pentan-1-amine

5-(fluoromethylsulfonyl)pentan-1-amine (PubChem CID 84718786) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-(fluoromethylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name5-(fluoromethylsulfonyl)pentan-1-amine
PubChem CID84718786
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name5-(fluoromethylsulfonyl)pentan-1-amine
SMILESNCCCCCS(=O)(=O)CF
InChIInChI=1S/C6H14FNO2S/c7-6-11(9,10)5-3-1-2-4-8/h1-6,8H2
InChIKeyQXKUGFIXUKWVEF-UHFFFAOYSA-N
XLogP0.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.46
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

2-(Aminomethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 121207655
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
4-Methanesulfonyl-butylamine
CID 191145
6-Methanesulfonylhexan-1-amine
CID 64503392
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
2-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 55289628
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethylsulfonyl)pentan-1-amine?
The IUPAC name of 5-(fluoromethylsulfonyl)pentan-1-amine (CID 84718786) is 5-(fluoromethylsulfonyl)pentan-1-amine.
What is the SMILES notation for 5-(fluoromethylsulfonyl)pentan-1-amine?
The canonical SMILES for 5-(fluoromethylsulfonyl)pentan-1-amine is NCCCCCS(=O)(=O)CF.
What is the InChIKey of 5-(fluoromethylsulfonyl)pentan-1-amine?
The InChIKey is QXKUGFIXUKWVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c7-6-11(9,10)5-3-1-2-4-8/h1-6,8H2.
What are the key properties of 5-(fluoromethylsulfonyl)pentan-1-amine?
5-(fluoromethylsulfonyl)pentan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethylsulfonyl)pentan-1-amine is sourced from PubChem (CID 84718786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).