(2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid

C8H16FNO3S — CID 87845106

IUPAC(2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid
SMILESC[C@@](F)(CNC1CCCC1)S(=O)(=O)O
InChIInChI=1S/C8H16FNO3S/c1-8(9,14(11,12)13)6-10-7-4-2-3-5-7/h7,10H,2-6H2,1H3,(H,11,12,13)/t8-/m0/s1
InChIKeyLGWANCGDPILZEG-QMMMGPOBSA-N
MW225.28 g/mol
LogP1.09
Rot. Bonds4

About (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid

(2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid (PubChem CID 87845106) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid.

Molecular Properties

Compound Name(2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid
PubChem CID87845106
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name(2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid
SMILESC[C@@](F)(CNC1CCCC1)S(=O)(=O)O
InChIInChI=1S/C8H16FNO3S/c1-8(9,14(11,12)13)6-10-7-4-2-3-5-7/h7,10H,2-6H2,1H3,(H,11,12,13)/t8-/m0/s1
InChIKeyLGWANCGDPILZEG-QMMMGPOBSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.09
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
(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-(Cyclopentylamino)-1,1-difluoropropane-1-sulfinic acid
CID 58692028
(2S)-2-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 69634656
(2R)-2-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 69634835
(2R)-1-(cyclohexylamino)-2-fluoropropane-2-sulfonic acid
CID 87845867

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid?
The IUPAC name of (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid (CID 87845106) is (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid.
What is the SMILES notation for (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid?
The canonical SMILES for (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid is C[C@@](F)(CNC1CCCC1)S(=O)(=O)O.
What is the InChIKey of (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid?
The InChIKey is LGWANCGDPILZEG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FNO3S/c1-8(9,14(11,12)13)6-10-7-4-2-3-5-7/h7,10H,2-6H2,1H3,(H,11,12,13)/t8-/m0/s1.
What are the key properties of (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid?
(2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid has a molecular weight of 225.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopentylamino)-2-fluoropropane-2-sulfonic acid is sourced from PubChem (CID 87845106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).