3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid

C8H15F2NO3S — CID 58691847

IUPAC3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)(F)CNC1CCCC1
InChIInChI=1S/C8H15F2NO3S/c9-8(10,6-15(12,13)14)5-11-7-3-1-2-4-7/h7,11H,1-6H2,(H,12,13,14)
InChIKeyYJXCLOXMNRVTCP-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.04
Rot. Bonds5

About 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid

3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid (PubChem CID 58691847) has the molecular formula C8H15F2NO3S and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid
PubChem CID58691847
Molecular FormulaC8H15F2NO3S
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC Name3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)(F)CNC1CCCC1
InChIInChI=1S/C8H15F2NO3S/c9-8(10,6-15(12,13)14)5-11-7-3-1-2-4-7/h7,11H,1-6H2,(H,12,13,14)
InChIKeyYJXCLOXMNRVTCP-UHFFFAOYSA-N
XLogP1.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 11550355
3-(Cycloheptylamino)-2,2-difluoropropane-1-sulfonic acid
CID 11616013
(2S)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 15976469
(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 58691844
3-(Cyclohexylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58691849
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)-2,2-difluoropropane-1-sulfonic acid
CID 58691992
3-(Cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid
CID 58692028
(2S)-2-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 69634656

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid?
The IUPAC name of 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid (CID 58691847) is 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid.
What is the SMILES notation for 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid?
The canonical SMILES for 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid is O=S(=O)(O)CC(F)(F)CNC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid?
The InChIKey is YJXCLOXMNRVTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S/c9-8(10,6-15(12,13)14)5-11-7-3-1-2-4-7/h7,11H,1-6H2,(H,12,13,14).
What are the key properties of 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid?
3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid has a molecular weight of 243.27 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-2,2-difluoropropane-1-sulfonic acid is sourced from PubChem (CID 58691847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).