(1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol

C6H13NO4S — CID 92855490

IUPAC(1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol
SMILESC[S@](=O)[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12-/m0/s1
InChIKeyZJFKRRRXLLAUHQ-VQZGLSRDSA-N
MW195.24 g/mol
LogP-2.84
Rot. Bonds1

About (1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol

(1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol (PubChem CID 92855490) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is (1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol
PubChem CID92855490
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name(1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol
SMILESC[S@](=O)[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12-/m0/s1
InChIKeyZJFKRRRXLLAUHQ-VQZGLSRDSA-N
XLogP-2.84
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-2.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-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

Related Compounds

CID 124189
CID 124189
CID 9576848
CID 9576848
CID 128174
CID 128174
CID 11535731
CID 11535731
CID 11651202
CID 11651202
CID 21668368
CID 21668368
CID 24837251
CID 24837251
CID 10012229
CID 10012229
CID 10654575
CID 10654575
CID 10749529
CID 10749529
CID 138396849
CID 138396849
CID 169443124
CID 169443124

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol?
The IUPAC name of (1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol (CID 92855490) is (1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol.
What is the SMILES notation for (1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol?
The canonical SMILES for (1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol is C[S@](=O)[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-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol?
The InChIKey is ZJFKRRRXLLAUHQ-VQZGLSRDSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12-/m0/s1.
What are the key properties of (1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol?
(1R,2R,3R,4S,5R)-4-amino-5-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol has a molecular weight of 195.24 g/mol, XLogP of -2.84, 1 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-[(S)-methylsulfinyl]cyclopentane-1,2,3-triol is sourced from PubChem (CID 92855490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).