1-fluoro-5-(sulfinoamino)pentane

C5H12FNO2S — CID 91169380

IUPAC1-fluoro-5-(sulfinoamino)pentane
SMILESO=S(O)NCCCCCF
InChIInChI=1S/C5H12FNO2S/c6-4-2-1-3-5-7-10(8)9/h7H,1-5H2,(H,8,9)
InChIKeyVOKMIACPQQOMFH-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.85
Rot. Bonds6

About 1-fluoro-5-(sulfinoamino)pentane

1-fluoro-5-(sulfinoamino)pentane (PubChem CID 91169380) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-fluoro-5-(sulfinoamino)pentane.

Molecular Properties

Compound Name1-fluoro-5-(sulfinoamino)pentane
PubChem CID91169380
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name1-fluoro-5-(sulfinoamino)pentane
SMILESO=S(O)NCCCCCF
InChIInChI=1S/C5H12FNO2S/c6-4-2-1-3-5-7-10(8)9/h7H,1-5H2,(H,8,9)
InChIKeyVOKMIACPQQOMFH-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(sulfinoamino)tetradecane
CID 57045520
1-(dimethylamino)-5-(sulfinoamino)pentane
CID 91318979
1-(dimethylamino)-4-(sulfinoamino)butane
CID 90942652
5-methyl-1-(sulfinoamino)hexane
CID 175257110
1-(2-aminoethoxy)-3-(sulfinoamino)propane
CID 146230326
amino-(sulfinoamino)methane
CID 174302377
1-hydroxy-5-(sulfinatoamino)pentane
CID 91602257
4-fluorobutylsulfamic acid
CID 163287147
5-fluoropentylhydrazine
CID 126977666
1-[2-(sulfinoamino)ethoxy]pentadecane
CID 57250596
1-nitro-2-(sulfinoamino)ethane
CID 91512244
1-aminooxy-2-(sulfinoamino)ethane
CID 163917015

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-(sulfinoamino)pentane?
The IUPAC name of 1-fluoro-5-(sulfinoamino)pentane (CID 91169380) is 1-fluoro-5-(sulfinoamino)pentane.
What is the SMILES notation for 1-fluoro-5-(sulfinoamino)pentane?
The canonical SMILES for 1-fluoro-5-(sulfinoamino)pentane is O=S(O)NCCCCCF.
What is the InChIKey of 1-fluoro-5-(sulfinoamino)pentane?
The InChIKey is VOKMIACPQQOMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c6-4-2-1-3-5-7-10(8)9/h7H,1-5H2,(H,8,9).
What are the key properties of 1-fluoro-5-(sulfinoamino)pentane?
1-fluoro-5-(sulfinoamino)pentane has a molecular weight of 169.22 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-(sulfinoamino)pentane is sourced from PubChem (CID 91169380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).