1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine

C6H16N4OS — CID 106162027

IUPAC1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine
SMILESCSC(CO)C(C)/N=C(\N)NN
InChIInChI=1S/C6H16N4OS/c1-4(5(3-11)12-2)9-6(7)10-8/h4-5,11H,3,8H2,1-2H3,(H3,7,9,10)
InChIKeyMKAGVXGOIFTDED-UHFFFAOYSA-N
MW192.29 g/mol
LogP-1.12
Rot. Bonds4

About 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine

1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine (PubChem CID 106162027) has the molecular formula C6H16N4OS and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine
PubChem CID106162027
Molecular FormulaC6H16N4OS
Molecular Weight192.29 g/mol
Exact Mass192.10
IUPAC Name1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine
SMILESCSC(CO)C(C)/N=C(\N)NN
InChIInChI=1S/C6H16N4OS/c1-4(5(3-11)12-2)9-6(7)10-8/h4-5,11H,3,8H2,1-2H3,(H3,7,9,10)
InChIKeyMKAGVXGOIFTDED-UHFFFAOYSA-N
XLogP-1.12
TPSA96.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine?
The IUPAC name of 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine (CID 106162027) is 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine is CSC(CO)C(C)/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine?
The InChIKey is MKAGVXGOIFTDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4OS/c1-4(5(3-11)12-2)9-6(7)10-8/h4-5,11H,3,8H2,1-2H3,(H3,7,9,10).
What are the key properties of 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine?
1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine has a molecular weight of 192.29 g/mol, XLogP of -1.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine is sourced from PubChem (CID 106162027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).