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'}

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Related Compounds

N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-[2-(cyclopropylmethoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103795956
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 113264034
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
3-(pyrrolidine-2-carbonylamino)propyl nitrate
CID 67830353
N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119295663
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 10715944

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).