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

C7H17N5OS — CID 106162023

IUPAC1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine
SMILESCSC(CO)C(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C7H17N5OS/c1-4(5(3-13)14-2)11-7(10)12-6(8)9/h4-5,13H,3H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyBRVNCIMEMASPHX-UHFFFAOYSA-N
MW219.31 g/mol
LogP-1.31
Rot. Bonds4

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

1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine (PubChem CID 106162023) has the molecular formula C7H17N5OS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine
PubChem CID106162023
Molecular FormulaC7H17N5OS
Molecular Weight219.31 g/mol
Exact Mass219.12
IUPAC Name1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine
SMILESCSC(CO)C(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C7H17N5OS/c1-4(5(3-13)14-2)11-7(10)12-6(8)9/h4-5,13H,3H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyBRVNCIMEMASPHX-UHFFFAOYSA-N
XLogP-1.31
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine (CID 106162023) is 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine is CSC(CO)C(C)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine?
The InChIKey is BRVNCIMEMASPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5OS/c1-4(5(3-13)14-2)11-7(10)12-6(8)9/h4-5,13H,3H2,1-2H3,(H6,8,9,10,11,12).
What are the key properties of 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine?
1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine has a molecular weight of 219.31 g/mol, XLogP of -1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine is sourced from PubChem (CID 106162023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).