2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate

C6H11N3O4S — CID 11775674

IUPAC2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate
SMILESO=C(NCCO[N+](=O)[O-])[C@@H]1CSCN1
InChIInChI=1S/C6H11N3O4S/c10-6(5-3-14-4-8-5)7-1-2-13-9(11)12/h5,8H,1-4H2,(H,7,10)/t5-/m0/s1
InChIKeyAELJWRSNCNKINT-YFKPBYRVSA-N
MW221.24 g/mol
LogP-1.03
Rot. Bonds5

About 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate

2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate (PubChem CID 11775674) has the molecular formula C6H11N3O4S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate.

Molecular Properties

Compound Name2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate
PubChem CID11775674
Molecular FormulaC6H11N3O4S
Molecular Weight221.24 g/mol
Exact Mass221.05
IUPAC Name2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate
SMILESO=C(NCCO[N+](=O)[O-])[C@@H]1CSCN1
InChIInChI=1S/C6H11N3O4S/c10-6(5-3-14-4-8-5)7-1-2-13-9(11)12/h5,8H,1-4H2,(H,7,10)/t5-/m0/s1
InChIKeyAELJWRSNCNKINT-YFKPBYRVSA-N
XLogP-1.03
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate 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 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate?
The IUPAC name of 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate (CID 11775674) is 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate.
What is the SMILES notation for 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate?
The canonical SMILES for 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate is O=C(NCCO[N+](=O)[O-])[C@@H]1CSCN1.
What is the InChIKey of 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate?
The InChIKey is AELJWRSNCNKINT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3O4S/c10-6(5-3-14-4-8-5)7-1-2-13-9(11)12/h5,8H,1-4H2,(H,7,10)/t5-/m0/s1.
What are the key properties of 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate?
2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate has a molecular weight of 221.24 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate is sourced from PubChem (CID 11775674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).