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

C7H15NO3S — CID 11535731

IUPAC(1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol
SMILESCCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15NO3S/c1-2-12-7-3(8)4(9)5(10)6(7)11/h3-7,9-11H,2,8H2,1H3/t3-,4+,5+,6+,7+/m0/s1
InChIKeyIBACCZPBYSUVNV-CQOGJGKDSA-N
MW193.27 g/mol
LogP-1.47
Rot. Bonds2

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

(1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol (PubChem CID 11535731) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol
PubChem CID11535731
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol
SMILESCCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15NO3S/c1-2-12-7-3(8)4(9)5(10)6(7)11/h3-7,9-11H,2,8H2,1H3/t3-,4+,5+,6+,7+/m0/s1
InChIKeyIBACCZPBYSUVNV-CQOGJGKDSA-N
XLogP-1.47
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol?
The IUPAC name of (1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol (CID 11535731) is (1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol.
What is the SMILES notation for (1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol?
The canonical SMILES for (1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol is CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol?
The InChIKey is IBACCZPBYSUVNV-CQOGJGKDSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-12-7-3(8)4(9)5(10)6(7)11/h3-7,9-11H,2,8H2,1H3/t3-,4+,5+,6+,7+/m0/s1.
What are the key properties of (1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol?
(1R,2R,3R,4S,5R)-4-amino-5-ethylsulfanylcyclopentane-1,2,3-triol has a molecular weight of 193.27 g/mol, XLogP of -1.47, 2 rotatable bonds, 4 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-ethylsulfanylcyclopentane-1,2,3-triol is sourced from PubChem (CID 11535731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).