(2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid

C6H11N3O2S — CID 87967848

IUPAC(2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid
SMILESNCCC[C@H](NN=C=S)C(=O)O
InChIInChI=1S/C6H11N3O2S/c7-3-1-2-5(6(10)11)9-8-4-12/h5,9H,1-3,7H2,(H,10,11)/t5-/m0/s1
InChIKeyLWSFTVRADRXUJM-YFKPBYRVSA-N
MW189.24 g/mol
LogP-0.21
Rot. Bonds6

About (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid

(2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid (PubChem CID 87967848) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid
PubChem CID87967848
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name(2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid
SMILESNCCC[C@H](NN=C=S)C(=O)O
InChIInChI=1S/C6H11N3O2S/c7-3-1-2-5(6(10)11)9-8-4-12/h5,9H,1-3,7H2,(H,10,11)/t5-/m0/s1
InChIKeyLWSFTVRADRXUJM-YFKPBYRVSA-N
XLogP-0.21
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
5-amino-2-(iodoamino)pentanoic acid
CID 146484863
(2S)-5-amino-2-(carbamothioylamino)pentanoic acid
CID 87236660
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2R)-5-amino-2-formamidopentanoic acid
CID 174416809
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-5-amino-2-(ethenylamino)pentanoic acid
CID 172797723
(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
CID 102061405
(2S)-6-amino-2-(prop-1-ynylamino)hexanoic acid
CID 154083989

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid?
The IUPAC name of (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid (CID 87967848) is (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid is NCCC[C@H](NN=C=S)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid?
The InChIKey is LWSFTVRADRXUJM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3O2S/c7-3-1-2-5(6(10)11)9-8-4-12/h5,9H,1-3,7H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid?
(2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid has a molecular weight of 189.24 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid is sourced from PubChem (CID 87967848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).