(5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione

C5H8INOS — CID 72707557

IUPAC(5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione
SMILESS=C1NC[C@@H](CCI)O1
InChIInChI=1S/C5H8INOS/c6-2-1-4-3-7-5(9)8-4/h4H,1-3H2,(H,7,9)/t4-/m1/s1
InChIKeySMDQDTMPDREGLP-SCSAIBSYSA-N
MW257.10 g/mol
LogP1.08
Rot. Bonds2

About (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione

(5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione (PubChem CID 72707557) has the molecular formula C5H8INOS and a molecular weight of 257.10 g/mol. Its IUPAC name is (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione
PubChem CID72707557
Molecular FormulaC5H8INOS
Molecular Weight257.10 g/mol
Exact Mass256.94
IUPAC Name(5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione
SMILESS=C1NC[C@@H](CCI)O1
InChIInChI=1S/C5H8INOS/c6-2-1-4-3-7-5(9)8-4/h4H,1-3H2,(H,7,9)/t4-/m1/s1
InChIKeySMDQDTMPDREGLP-SCSAIBSYSA-N
XLogP1.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione 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

5-Methyl-1,3-oxazolidine-2-thione
CID 3258601
5-Ethyl-1,3-oxazolidine-2-thione
CID 12642976
4,5-Dimethyl-1,3-oxazolidine-2-thione
CID 22414320
(4R,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione
CID 53958675
(4R,5R)-4,5-dimethyl-1,3-oxazolidine-2-thione
CID 53958676
(5R)-5-Methyl-2-oxazolidinethione
CID 55300698
(4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione
CID 55300849
(4S,5R)-4,5-dimethyl-1,3-oxazolidine-2-thione
CID 55300850
(5S)-5-methyl-1,3-oxazolidine-2-thione
CID 87923157
5-Propan-2-yl-1,3-oxazolidine-2-thione
CID 12642977
5-Propyl-1,3-oxazolidine-2-thione
CID 55288532
5-(Aminomethyl)-1,3-oxazolidine-2-thione
CID 55289445

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione?
The IUPAC name of (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione (CID 72707557) is (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione.
What is the SMILES notation for (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione?
The canonical SMILES for (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione is S=C1NC[C@@H](CCI)O1.
What is the InChIKey of (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione?
The InChIKey is SMDQDTMPDREGLP-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8INOS/c6-2-1-4-3-7-5(9)8-4/h4H,1-3H2,(H,7,9)/t4-/m1/s1.
What are the key properties of (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione?
(5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione has a molecular weight of 257.10 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-iodoethyl)-1,3-oxazolidine-2-thione is sourced from PubChem (CID 72707557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).