(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid

C8H16FNO3S — CID 11514107

IUPAC(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
SMILESNC(C1CCCC1)[C@H](F)CS(=O)(=O)O
InChIInChI=1S/C8H16FNO3S/c9-7(5-14(11,12)13)8(10)6-3-1-2-4-6/h6-8H,1-5,10H2,(H,11,12,13)/t7-,8?/m1/s1
InChIKeyUIDLULHCHLKQGQ-GVHYBUMESA-N
MW225.28 g/mol
LogP0.73
Rot. Bonds4

About (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid

(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid (PubChem CID 11514107) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
PubChem CID11514107
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
SMILESNC(C1CCCC1)[C@H](F)CS(=O)(=O)O
InChIInChI=1S/C8H16FNO3S/c9-7(5-14(11,12)13)8(10)6-3-1-2-4-6/h6-8H,1-5,10H2,(H,11,12,13)/t7-,8?/m1/s1
InChIKeyUIDLULHCHLKQGQ-GVHYBUMESA-N
XLogP0.73
TPSA80.39 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 ≤ 50.73
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

(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592
2-cycloheptyl-2-hydroxyethanesulfonic acid
CID 115033560
(2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid
CID 154318738
(3S)-3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 11630117
3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane
CID 143236361
[amino(sulfosulfanyl)methyl]cyclopentane
CID 21127260
2-cyclopentyl-2-hydroxyethanesulfonamide
CID 115019545
1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
1-amino-1-cyclohexylpropane-2-sulfonamide
CID 174660320
2-cycloheptyl-2-hydroxyethanesulfonyl fluoride
CID 115034579
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid
CID 134206425
2-(2-fluoro-3-sulfopropoxy)carbonylcyclohexane-1-carboxylic acid
CID 122692807

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid?
The IUPAC name of (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid (CID 11514107) is (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid.
What is the SMILES notation for (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid?
The canonical SMILES for (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid is NC(C1CCCC1)[C@H](F)CS(=O)(=O)O.
What is the InChIKey of (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid?
The InChIKey is UIDLULHCHLKQGQ-GVHYBUMESA-N. The full InChI is InChI=1S/C8H16FNO3S/c9-7(5-14(11,12)13)8(10)6-3-1-2-4-6/h6-8H,1-5,10H2,(H,11,12,13)/t7-,8?/m1/s1.
What are the key properties of (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid?
(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid has a molecular weight of 225.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid is sourced from PubChem (CID 11514107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).