3-(4-fluorobutylsulfonyl)propan-1-amine

C7H16FNO2S — CID 58684230

IUPAC3-(4-fluorobutylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCCCF
InChIInChI=1S/C7H16FNO2S/c8-4-1-2-6-12(10,11)7-3-5-9/h1-7,9H2
InChIKeyVOQJGFOMJLVXRA-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.50
Rot. Bonds7

About 3-(4-fluorobutylsulfonyl)propan-1-amine

3-(4-fluorobutylsulfonyl)propan-1-amine (PubChem CID 58684230) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is 3-(4-fluorobutylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorobutylsulfonyl)propan-1-amine
PubChem CID58684230
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC Name3-(4-fluorobutylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCCCF
InChIInChI=1S/C7H16FNO2S/c8-4-1-2-6-12(10,11)7-3-5-9/h1-7,9H2
InChIKeyVOQJGFOMJLVXRA-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.50
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

3-(Methylsulfonyl)propan-1-amine
CID 21949286
3-(3-Aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
3,3'-Sulfonylbis(1-propanamine)
CID 14585888
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobutylsulfonyl)propan-1-amine?
The IUPAC name of 3-(4-fluorobutylsulfonyl)propan-1-amine (CID 58684230) is 3-(4-fluorobutylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorobutylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorobutylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CCCCF.
What is the InChIKey of 3-(4-fluorobutylsulfonyl)propan-1-amine?
The InChIKey is VOQJGFOMJLVXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c8-4-1-2-6-12(10,11)7-3-5-9/h1-7,9H2.
What are the key properties of 3-(4-fluorobutylsulfonyl)propan-1-amine?
3-(4-fluorobutylsulfonyl)propan-1-amine has a molecular weight of 197.27 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobutylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).