(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid

C8H16FNO2S — CID 58691844

IUPAC(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)C[C@H](F)CNC1CCCC1
InChIInChI=1S/C8H16FNO2S/c9-7(6-13(11)12)5-10-8-3-1-2-4-8/h7-8,10H,1-6H2,(H,11,12)/t7-/m1/s1
InChIKeyJLFHZUZOAXBXIT-SSDOTTSWSA-N
MW209.29 g/mol
LogP1.08
Rot. Bonds5

About (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid

(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid (PubChem CID 58691844) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
PubChem CID58691844
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)C[C@H](F)CNC1CCCC1
InChIInChI=1S/C8H16FNO2S/c9-7(6-13(11)12)5-10-8-3-1-2-4-8/h7-8,10H,1-6H2,(H,11,12)/t7-/m1/s1
InChIKeyJLFHZUZOAXBXIT-SSDOTTSWSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.08
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

2-(Cyclohexylamino)ethanesulfinic acid
CID 42627234
(2R)-3-(cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 11528835
(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 11550355
(2S)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 15976469
(2S)-3-(cyclohexylamino)-2-fluoropropane-1-sulfinic acid
CID 58691842
3-(Cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691847
3-(Cyclohexylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58691849
3-(Cyclohexylamino)-2-fluoropropane-1-sulfinic acid
CID 58691852
3-(Cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 58691853
(2S)-3-(cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 58691868
3-(Cycloheptylamino)-2-fluoropropane-1-sulfonic acid
CID 58691882
(2S)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 58691914

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid?
The IUPAC name of (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid (CID 58691844) is (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid.
What is the SMILES notation for (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid?
The canonical SMILES for (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid is O=S(O)C[C@H](F)CNC1CCCC1.
What is the InChIKey of (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid?
The InChIKey is JLFHZUZOAXBXIT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-7(6-13(11)12)5-10-8-3-1-2-4-8/h7-8,10H,1-6H2,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid?
(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid has a molecular weight of 209.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid is sourced from PubChem (CID 58691844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).