tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)

C12H24FeN4O4S4 — CID 23400783

IUPACtetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)
SMILESN[C@H]([C-]=O)CS.N[C@H]([C-]=O)CS.N[C@H]([C-]=O)CS.N[C@H]([C-]=O)CS.[Fe+4]
InChIInChI=1S/4C3H6NOS.Fe/c4*4-3(1-5)2-6;/h4*3,6H,2,4H2;/q4*-1;+4/t4*3-;/m1111./s1
InChIKeyKYFNZSJHJUGITE-KZYYPUJISA-N
MW472.46 g/mol
LogP-2.59
Rot. Bonds8

About tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)

tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+) (PubChem CID 23400783) has the molecular formula C12H24FeN4O4S4 and a molecular weight of 472.46 g/mol. Its IUPAC name is tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+).

Molecular Properties

Compound Nametetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)
PubChem CID23400783
Molecular FormulaC12H24FeN4O4S4
Molecular Weight472.46 g/mol
Exact Mass472.00
IUPAC Nametetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)
SMILESN[C@H]([C-]=O)CS.N[C@H]([C-]=O)CS.N[C@H]([C-]=O)CS.N[C@H]([C-]=O)CS.[Fe+4]
InChIInChI=1S/4C3H6NOS.Fe/c4*4-3(1-5)2-6;/h4*3,6H,2,4H2;/q4*-1;+4/t4*3-;/m1111./s1
InChIKeyKYFNZSJHJUGITE-KZYYPUJISA-N
XLogP-2.59
TPSA172.36 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500472.46
LogP ≤ 5-2.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+) 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

potassium (2S)-2-amino-4-sulfanylbutan-1-one
CID 59154001
sodium (3S)-3-amino-4-oxobutanoic acid
CID 163808101
magnesium bis((3S)-3-amino-4-oxobutanoic acid)
CID 177421154
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
CID 158584528
CID 158584528
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
CID 87623250
CID 87623250
2-amino-3-sulfanylpropanoyl chloride
CID 23199161
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911

Frequently Asked Questions

What is the IUPAC name of tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)?
The IUPAC name of tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+) (CID 23400783) is tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+).
What is the SMILES notation for tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)?
The canonical SMILES for tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+) is N[C@H]([C-]=O)CS.N[C@H]([C-]=O)CS.N[C@H]([C-]=O)CS.N[C@H]([C-]=O)CS.[Fe+4].
What is the InChIKey of tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)?
The InChIKey is KYFNZSJHJUGITE-KZYYPUJISA-N. The full InChI is InChI=1S/4C3H6NOS.Fe/c4*4-3(1-5)2-6;/h4*3,6H,2,4H2;/q4*-1;+4/t4*3-;/m1111./s1.
What are the key properties of tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)?
tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+) has a molecular weight of 472.46 g/mol, XLogP of -2.59, 8 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+) is sourced from PubChem (CID 23400783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).