sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate

C3H8N3NaO2S — CID 174823790

IUPACsodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)OS.[H-].[Na+]
InChIInChI=1S/C3H7N3O2S.Na.H/c4-3(5)6-1-2(7)8-9;;/h9H,1H2,(H4,4,5,6);;/q;+1;-1
InChIKeyPCJGRWALNJKETD-UHFFFAOYSA-N
MW173.17 g/mol
LogP-4.24
Rot. Bonds2

About sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate

sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate (PubChem CID 174823790) has the molecular formula C3H8N3NaO2S and a molecular weight of 173.17 g/mol. Its IUPAC name is sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Namesodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate
PubChem CID174823790
Molecular FormulaC3H8N3NaO2S
Molecular Weight173.17 g/mol
Exact Mass173.02
IUPAC Namesodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)OS.[H-].[Na+]
InChIInChI=1S/C3H7N3O2S.Na.H/c4-3(5)6-1-2(7)8-9;;/h9H,1H2,(H4,4,5,6);;/q;+1;-1
InChIKeyPCJGRWALNJKETD-UHFFFAOYSA-N
XLogP-4.24
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-4.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Guanidinoacetic Acid
CID 763
Carbamimidamidoacetate
CID 21951818
N-(Diaminomethylidene)(2,2-~2~H_2_)glycine
CID 71309039
Glycocyamine hydrochloride
CID 12205329
Guanidoacetic acid hydrobromide
CID 129655063
N-(Diaminomethylidene)(~13~C_2_)glycine
CID 45039367
Potassium 2-(diaminomethylideneamino)acetate
CID 25150920
Sodium 2-(diaminomethylideneamino)acetate
CID 25153931
2-[[Amino-(sulfanylamino)methylidene]amino]acetic acid
CID 123890398
2-(Diaminomethylideneamino)acetic acid;hydrate
CID 141191811
Azanium 2-(diaminomethylideneamino)acetate
CID 141384107
Calcium;2-(diaminomethylideneamino)acetic acid;hydride
CID 173030266

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate?
The IUPAC name of sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate (CID 174823790) is sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate?
The canonical SMILES for sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate is NC(N)=NCC(=O)OS.[H-].[Na+].
What is the InChIKey of sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate?
The InChIKey is PCJGRWALNJKETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2S.Na.H/c4-3(5)6-1-2(7)8-9;;/h9H,1H2,(H4,4,5,6);;/q;+1;-1.
What are the key properties of sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate?
sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate has a molecular weight of 173.17 g/mol, XLogP of -4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;sulfanyl 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 174823790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).