2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine

C5H14N4S2 — CID 91280043

IUPAC2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine
SMILESNC(N)=NCCSC(N)CS
InChIInChI=1S/C5H14N4S2/c6-4(3-10)11-2-1-9-5(7)8/h4,10H,1-3,6H2,(H4,7,8,9)
InChIKeyPASNKKVIMXEXJH-UHFFFAOYSA-N
MW194.33 g/mol
LogP-0.79
Rot. Bonds5

About 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine

2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine (PubChem CID 91280043) has the molecular formula C5H14N4S2 and a molecular weight of 194.33 g/mol. Its IUPAC name is 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine.

Molecular Properties

Compound Name2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine
PubChem CID91280043
Molecular FormulaC5H14N4S2
Molecular Weight194.33 g/mol
Exact Mass194.07
IUPAC Name2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine
SMILESNC(N)=NCCSC(N)CS
InChIInChI=1S/C5H14N4S2/c6-4(3-10)11-2-1-9-5(7)8/h4,10H,1-3,6H2,(H4,7,8,9)
InChIKeyPASNKKVIMXEXJH-UHFFFAOYSA-N
XLogP-0.79
TPSA90.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.33
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(diaminomethylideneamino)ethylsulfanyl]-4-sulfanylbutanoic acid
CID 87535398
3-[2-(diaminomethylideneamino)ethylsulfanyl]butanoic acid
CID 118362435
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(2-sulfanylethyl)guanidine;hydrobromide
CID 53426976
2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid
CID 42614789
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87534543
2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498
(2R)-2-[2-(diaminomethylideneamino)ethylamino]-3-sulfanylpropanoic acid
CID 87452951
2-[1,2-bis(sulfanyl)ethyl]guanidine
CID 91116888
CID 170637679
CID 170637679
2-[2-(1-aminoethylamino)ethyl]guanidine
CID 174332333
2-(6-methylsulfanylhexyl)guanidine
CID 59806974

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine?
The IUPAC name of 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine (CID 91280043) is 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine.
What is the SMILES notation for 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine?
The canonical SMILES for 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine is NC(N)=NCCSC(N)CS.
What is the InChIKey of 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine?
The InChIKey is PASNKKVIMXEXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4S2/c6-4(3-10)11-2-1-9-5(7)8/h4,10H,1-3,6H2,(H4,7,8,9).
What are the key properties of 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine?
2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine has a molecular weight of 194.33 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine is sourced from PubChem (CID 91280043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).