(1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol

C5H11NO3S — CID 11651202

IUPAC(1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol
SMILESN[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1S
InChIInChI=1S/C5H11NO3S/c6-1-2(7)3(8)4(9)5(1)10/h1-5,7-10H,6H2/t1-,2+,3+,4+,5+/m0/s1
InChIKeyMGRQZJXVTHKWIB-HSTXELELSA-N
MW165.21 g/mol
LogP-2.29
Rot. Bonds

About (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol

(1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol (PubChem CID 11651202) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol
PubChem CID11651202
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name(1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol
SMILESN[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1S
InChIInChI=1S/C5H11NO3S/c6-1-2(7)3(8)4(9)5(1)10/h1-5,7-10H,6H2/t1-,2+,3+,4+,5+/m0/s1
InChIKeyMGRQZJXVTHKWIB-HSTXELELSA-N
XLogP-2.29
TPSA86.71 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-2.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol?
The IUPAC name of (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol (CID 11651202) is (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol.
What is the SMILES notation for (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol?
The canonical SMILES for (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol is N[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1S.
What is the InChIKey of (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol?
The InChIKey is MGRQZJXVTHKWIB-HSTXELELSA-N. The full InChI is InChI=1S/C5H11NO3S/c6-1-2(7)3(8)4(9)5(1)10/h1-5,7-10H,6H2/t1-,2+,3+,4+,5+/m0/s1.
What are the key properties of (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol?
(1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol has a molecular weight of 165.21 g/mol, XLogP of -2.29, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S,5R)-4-amino-5-sulfanylcyclopentane-1,2,3-triol is sourced from PubChem (CID 11651202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).