1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine

C8H20N4OS — CID 104888530

IUPAC1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine
SMILESCC(CS(C)=O)/N=C(\NN)NC(C)C
InChIInChI=1S/C8H20N4OS/c1-6(2)10-8(12-9)11-7(3)5-14(4)13/h6-7H,5,9H2,1-4H3,(H2,10,11,12)
InChIKeyVFACQBCPNKPGNR-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.43
Rot. Bonds4

About 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine

1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine (PubChem CID 104888530) has the molecular formula C8H20N4OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine
PubChem CID104888530
Molecular FormulaC8H20N4OS
Molecular Weight220.34 g/mol
Exact Mass220.14
IUPAC Name1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine
SMILESCC(CS(C)=O)/N=C(\NN)NC(C)C
InChIInChI=1S/C8H20N4OS/c1-6(2)10-8(12-9)11-7(3)5-14(4)13/h6-7H,5,9H2,1-4H3,(H2,10,11,12)
InChIKeyVFACQBCPNKPGNR-UHFFFAOYSA-N
XLogP-0.43
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.43
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'}

Analyze 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-Amino-2-propyl-3-(thiolan-3-yl)guanidine
CID 103065589
1-Amino-2-butyl-3-(thiolan-3-yl)guanidine
CID 103065594
1-Amino-3-propan-2-yl-2-(thiolan-3-yl)guanidine
CID 103065597
1-Amino-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine
CID 104881940
1-Amino-3-(1,1-dioxothian-4-yl)-2-methylguanidine
CID 104882020
1-Amino-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 104882080
1-Amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 104882256
1-Amino-2-methyl-3-(1-methylsulfonylpropan-2-yl)guanidine
CID 104882278
1-Amino-2-methyl-3-(3-methylsulfinylbutyl)guanidine
CID 104882454
1-Amino-2-methyl-3-(1-methylsulfinylpropan-2-yl)guanidine
CID 104882457
1-Amino-2-methyl-3-(1-oxothian-4-yl)guanidine
CID 104882466
1-Amino-2-methyl-3-(3-methylsulfinylpropyl)guanidine
CID 104882467

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine (CID 104888530) is 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine is CC(CS(C)=O)/N=C(\NN)NC(C)C.
What is the InChIKey of 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine?
The InChIKey is VFACQBCPNKPGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4OS/c1-6(2)10-8(12-9)11-7(3)5-14(4)13/h6-7H,5,9H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine?
1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine has a molecular weight of 220.34 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine is sourced from PubChem (CID 104888530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).