3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid

C8H15F2NO2S — CID 58692028

IUPAC3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid
SMILESO=S(O)C(F)(F)CCNC1CCCC1
InChIInChI=1S/C8H15F2NO2S/c9-8(10,14(12)13)5-6-11-7-3-1-2-4-7/h7,11H,1-6H2,(H,12,13)
InChIKeyWAFPNIVISDPJRV-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.72
Rot. Bonds5

About 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid

3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid (PubChem CID 58692028) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid
PubChem CID58692028
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid
SMILESO=S(O)C(F)(F)CCNC1CCCC1
InChIInChI=1S/C8H15F2NO2S/c9-8(10,14(12)13)5-6-11-7-3-1-2-4-7/h7,11H,1-6H2,(H,12,13)
InChIKeyWAFPNIVISDPJRV-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.72
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

(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 11550355
(2S)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 15976469
(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 58691844
3-(Cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691847
3-(Cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 58691853
(2S)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 58691914
3-(Cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 58691933
3-(Cyclopentylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58691967
3-(Cyclohexylamino)-1,1-difluoropropane-1-sulfinic acid
CID 58692046
(2S)-2-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 69634656
(2R)-2-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 69634835
(2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid
CID 87845106

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid?
The IUPAC name of 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid (CID 58692028) is 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid.
What is the SMILES notation for 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid?
The canonical SMILES for 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid is O=S(O)C(F)(F)CCNC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid?
The InChIKey is WAFPNIVISDPJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c9-8(10,14(12)13)5-6-11-7-3-1-2-4-7/h7,11H,1-6H2,(H,12,13).
What are the key properties of 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid?
3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid has a molecular weight of 227.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid is sourced from PubChem (CID 58692028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).