(1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol

C6H13NO2S — CID 10012229

IUPAC(1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol
SMILESCS[C@H]1C[C@H](O)[C@H](O)[C@@H]1N
InChIInChI=1S/C6H13NO2S/c1-10-4-2-3(8)6(9)5(4)7/h3-6,8-9H,2,7H2,1H3/t3-,4-,5+,6-/m0/s1
InChIKeyDGFXRDRZQRQXBB-AZGQCCRYSA-N
MW163.24 g/mol
LogP-0.83
Rot. Bonds1

About (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol

(1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol (PubChem CID 10012229) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol
PubChem CID10012229
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol
SMILESCS[C@H]1C[C@H](O)[C@H](O)[C@@H]1N
InChIInChI=1S/C6H13NO2S/c1-10-4-2-3(8)6(9)5(4)7/h3-6,8-9H,2,7H2,1H3/t3-,4-,5+,6-/m0/s1
InChIKeyDGFXRDRZQRQXBB-AZGQCCRYSA-N
XLogP-0.83
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol (CID 10012229) is (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol is CS[C@H]1C[C@H](O)[C@H](O)[C@@H]1N.
What is the InChIKey of (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol?
The InChIKey is DGFXRDRZQRQXBB-AZGQCCRYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10-4-2-3(8)6(9)5(4)7/h3-6,8-9H,2,7H2,1H3/t3-,4-,5+,6-/m0/s1.
What are the key properties of (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol?
(1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol has a molecular weight of 163.24 g/mol, XLogP of -0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4S)-3-amino-4-methylsulfanylcyclopentane-1,2-diol is sourced from PubChem (CID 10012229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).