2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid

C8H15N3O2S — CID 146263248

IUPAC2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid
SMILESCC(=S)/C(N)=N\CCCC(N)C(=O)O
InChIInChI=1S/C8H15N3O2S/c1-5(14)7(10)11-4-2-3-6(9)8(12)13/h6H,2-4,9H2,1H3,(H2,10,11)(H,12,13)
InChIKeyOROBXTDVIWKZGN-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.07
Rot. Bonds6

About 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid

2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid (PubChem CID 146263248) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid
PubChem CID146263248
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid
SMILESCC(=S)/C(N)=N\CCCC(N)C(=O)O
InChIInChI=1S/C8H15N3O2S/c1-5(14)7(10)11-4-2-3-6(9)8(12)13/h6H,2-4,9H2,1H3,(H2,10,11)(H,12,13)
InChIKeyOROBXTDVIWKZGN-UHFFFAOYSA-N
XLogP-0.07
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid?
The IUPAC name of 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid (CID 146263248) is 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid is CC(=S)/C(N)=N\CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid?
The InChIKey is OROBXTDVIWKZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-5(14)7(10)11-4-2-3-6(9)8(12)13/h6H,2-4,9H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid?
2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid has a molecular weight of 217.29 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-amino-2-sulfanylidenepropylidene)amino]pentanoic acid is sourced from PubChem (CID 146263248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).