(1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride

C6H14ClNO3S — CID 169443124

IUPAC(1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride
SMILESCS[C@H]1[C@H](N)[C@H](O)[C@H](O)[C@@H]1O.Cl
InChIInChI=1S/C6H13NO3S.ClH/c1-11-6-2(7)3(8)4(9)5(6)10;/h2-6,8-10H,7H2,1H3;1H/t2-,3+,4+,5+,6+;/m1./s1
InChIKeyLKUFVTJLAWOCSN-DKTZHBERSA-N
MW215.70 g/mol
LogP-1.44
Rot. Bonds1

About (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride

(1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride (PubChem CID 169443124) has the molecular formula C6H14ClNO3S and a molecular weight of 215.70 g/mol. Its IUPAC name is (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride.

Molecular Properties

Compound Name(1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride
PubChem CID169443124
Molecular FormulaC6H14ClNO3S
Molecular Weight215.70 g/mol
Exact Mass215.04
IUPAC Name(1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride
SMILESCS[C@H]1[C@H](N)[C@H](O)[C@H](O)[C@@H]1O.Cl
InChIInChI=1S/C6H13NO3S.ClH/c1-11-6-2(7)3(8)4(9)5(6)10;/h2-6,8-10H,7H2,1H3;1H/t2-,3+,4+,5+,6+;/m1./s1
InChIKeyLKUFVTJLAWOCSN-DKTZHBERSA-N
XLogP-1.44
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride?
The IUPAC name of (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride (CID 169443124) is (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride.
What is the SMILES notation for (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride?
The canonical SMILES for (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride is CS[C@H]1[C@H](N)[C@H](O)[C@H](O)[C@@H]1O.Cl.
What is the InChIKey of (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride?
The InChIKey is LKUFVTJLAWOCSN-DKTZHBERSA-N. The full InChI is InChI=1S/C6H13NO3S.ClH/c1-11-6-2(7)3(8)4(9)5(6)10;/h2-6,8-10H,7H2,1H3;1H/t2-,3+,4+,5+,6+;/m1./s1.
What are the key properties of (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride?
(1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of -1.44, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R,5S)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol;hydrochloride is sourced from PubChem (CID 169443124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).