(1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid

C3H10N4O2S2 — CID 22878501

IUPAC(1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid
SMILESNC(N)=NN[C@@H](CS)S(=O)O
InChIInChI=1S/C3H10N4O2S2/c4-3(5)7-6-2(1-10)11(8)9/h2,6,10H,1H2,(H,8,9)(H4,4,5,7)/t2-/m1/s1
InChIKeyGFPBGJUXLXBNNF-UWTATZPHSA-N
MW198.27 g/mol
LogP-1.76
Rot. Bonds4

About (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid

(1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid (PubChem CID 22878501) has the molecular formula C3H10N4O2S2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid.

Molecular Properties

Compound Name(1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid
PubChem CID22878501
Molecular FormulaC3H10N4O2S2
Molecular Weight198.27 g/mol
Exact Mass198.02
IUPAC Name(1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid
SMILESNC(N)=NN[C@@H](CS)S(=O)O
InChIInChI=1S/C3H10N4O2S2/c4-3(5)7-6-2(1-10)11(8)9/h2,6,10H,1H2,(H,8,9)(H4,4,5,7)/t2-/m1/s1
InChIKeyGFPBGJUXLXBNNF-UWTATZPHSA-N
XLogP-1.76
TPSA113.73 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.76
H-Bond Donors ≤ 55
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
CID 54407523
2-[1,2-bis(sulfanyl)ethyl]guanidine
CID 91116888
2-[[(2S)-6-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]guanidine
CID 173129987
(diaminomethylideneamino)urea;hydrochloride
CID 87522234
(2R)-2-[2-(diaminomethylideneamino)ethylamino]-3-sulfanylpropanoic acid
CID 87452951
3-amino-1-chloropropane-1-sulfinic acid
CID 174275377
2-(2-sulfanylethyl)guanidine;hydrobromide
CID 53426976
chloro-(fluoromethylamino)methanesulfinic acid
CID 174927125
1-(carbamoylamino)ethanesulfinic acid
CID 141204659
1-sulfanylpropan-2-ylurea
CID 89224596
1-sulfanylethanesulfinic acid
CID 57298371
2-sulfanylethanol;sulfurous acid
CID 88746465

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid?
The IUPAC name of (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid (CID 22878501) is (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid.
What is the SMILES notation for (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid?
The canonical SMILES for (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid is NC(N)=NN[C@@H](CS)S(=O)O.
What is the InChIKey of (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid?
The InChIKey is GFPBGJUXLXBNNF-UWTATZPHSA-N. The full InChI is InChI=1S/C3H10N4O2S2/c4-3(5)7-6-2(1-10)11(8)9/h2,6,10H,1H2,(H,8,9)(H4,4,5,7)/t2-/m1/s1.
What are the key properties of (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid?
(1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid has a molecular weight of 198.27 g/mol, XLogP of -1.76, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(diaminomethylidene)hydrazinyl]-2-sulfanylethanesulfinic acid is sourced from PubChem (CID 22878501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).