1-fluoro-1-(sulfinatoamino)pentane

C5H11FNO2S- — CID 174504933

IUPAC1-fluoro-1-(sulfinatoamino)pentane
SMILESCCCCC(F)NS(=O)[O-]
InChIInChI=1S/C5H12FNO2S/c1-2-3-4-5(6)7-10(8)9/h5,7H,2-4H2,1H3,(H,8,9)/p-1
InChIKeyFAMORKOHGURRFM-UHFFFAOYSA-M
MW168.21 g/mol
LogP0.86
Rot. Bonds5

About 1-fluoro-1-(sulfinatoamino)pentane

1-fluoro-1-(sulfinatoamino)pentane (PubChem CID 174504933) has the molecular formula C5H11FNO2S- and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-fluoro-1-(sulfinatoamino)pentane.

Molecular Properties

Compound Name1-fluoro-1-(sulfinatoamino)pentane
PubChem CID174504933
Molecular FormulaC5H11FNO2S-
Molecular Weight168.21 g/mol
Exact Mass168.05
IUPAC Name1-fluoro-1-(sulfinatoamino)pentane
SMILESCCCCC(F)NS(=O)[O-]
InChIInChI=1S/C5H12FNO2S/c1-2-3-4-5(6)7-10(8)9/h5,7H,2-4H2,1H3,(H,8,9)/p-1
InChIKeyFAMORKOHGURRFM-UHFFFAOYSA-M
XLogP0.86
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

Hexylsulfamoyl fluoride
CID 54409927
sodium N-amylsulfamate
CID 87069200
N-pentylsulfamoyl fluoride
CID 54297482
1-Fluorohexylsulfamic acid
CID 57229371
1-Fluoropentylsulfamic acid
CID 57239543
1-Fluoro-6-(sulfinatoamino)hexane
CID 90973735
1-Fluoro-5-(sulfinatoamino)pentane
CID 91169379
1-Fluoro-4-(sulfinatoamino)butane
CID 91453950
1-Fluoro-6-(sulfinoamino)hexane
CID 90973736
1-Fluoro-5-(sulfinoamino)pentane
CID 91169380
3-Fluoro-1-(sulfamoylamino)butane
CID 130632572
1-Fluoro-1-(sulfinoamino)pentane
CID 174504934

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(sulfinatoamino)pentane?
The IUPAC name of 1-fluoro-1-(sulfinatoamino)pentane (CID 174504933) is 1-fluoro-1-(sulfinatoamino)pentane.
What is the SMILES notation for 1-fluoro-1-(sulfinatoamino)pentane?
The canonical SMILES for 1-fluoro-1-(sulfinatoamino)pentane is CCCCC(F)NS(=O)[O-].
What is the InChIKey of 1-fluoro-1-(sulfinatoamino)pentane?
The InChIKey is FAMORKOHGURRFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12FNO2S/c1-2-3-4-5(6)7-10(8)9/h5,7H,2-4H2,1H3,(H,8,9)/p-1.
What are the key properties of 1-fluoro-1-(sulfinatoamino)pentane?
1-fluoro-1-(sulfinatoamino)pentane has a molecular weight of 168.21 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(sulfinatoamino)pentane is sourced from PubChem (CID 174504933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).