1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine

C6H16N4OS — CID 104866939

IUPAC1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine
SMILESCC(CCS(C)=O)/N=C(\N)NN
InChIInChI=1S/C6H16N4OS/c1-5(3-4-12(2)11)9-6(7)10-8/h5H,3-4,8H2,1-2H3,(H3,7,9,10)
InChIKeyCXTBASZEIHQERP-UHFFFAOYSA-N
MW192.29 g/mol
LogP-1.08
Rot. Bonds4

About 1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine

1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine (PubChem CID 104866939) has the molecular formula C6H16N4OS and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine
PubChem CID104866939
Molecular FormulaC6H16N4OS
Molecular Weight192.29 g/mol
Exact Mass192.10
IUPAC Name1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine
SMILESCC(CCS(C)=O)/N=C(\N)NN
InChIInChI=1S/C6H16N4OS/c1-5(3-4-12(2)11)9-6(7)10-8/h5H,3-4,8H2,1-2H3,(H3,7,9,10)
InChIKeyCXTBASZEIHQERP-UHFFFAOYSA-N
XLogP-1.08
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methylsulfinylbutan-2-yl)guanidine?
The IUPAC name of 1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine (CID 104866939) is 1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine is CC(CCS(C)=O)/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine?
The InChIKey is CXTBASZEIHQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4OS/c1-5(3-4-12(2)11)9-6(7)10-8/h5H,3-4,8H2,1-2H3,(H3,7,9,10).
What are the key properties of 1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine?
1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine has a molecular weight of 192.29 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-methylsulfinylbutan-2-yl)guanidine is sourced from PubChem (CID 104866939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).