3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid

C6H12FNO2S — CID 58691983

IUPAC3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)CNC1CC1
InChIInChI=1S/C6H12FNO2S/c7-5(4-11(9)10)3-8-6-1-2-6/h5-6,8H,1-4H2,(H,9,10)
InChIKeyIUDVCPLMQBVBRU-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.30
Rot. Bonds5

About 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid

3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid (PubChem CID 58691983) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid
PubChem CID58691983
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)CNC1CC1
InChIInChI=1S/C6H12FNO2S/c7-5(4-11(9)10)3-8-6-1-2-6/h5-6,8H,1-4H2,(H,9,10)
InChIKeyIUDVCPLMQBVBRU-UHFFFAOYSA-N
XLogP0.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Agn-PC-0nhgeb
CID 11194685
(2S)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 58691865
3-(Cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid
CID 58691872
(2R)-3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691880
(2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 58691896
3-(Cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 58691912
(2S)-3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691948
3-(Cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691990
3-(Cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691995
3-(Cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58692025
(2S)-2-(cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 87845400
(2R)-2-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 87925298

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid?
The IUPAC name of 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid (CID 58691983) is 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid.
What is the SMILES notation for 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid?
The canonical SMILES for 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid is O=S(O)CC(F)CNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid?
The InChIKey is IUDVCPLMQBVBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-5(4-11(9)10)3-8-6-1-2-6/h5-6,8H,1-4H2,(H,9,10).
What are the key properties of 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid?
3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid has a molecular weight of 181.23 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-2-fluoropropane-1-sulfinic acid is sourced from PubChem (CID 58691983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).