1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine

C7H18N4OS — CID 104888729

IUPAC1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine
SMILESCCN/C(=N\CC(C)S(C)=O)NN
InChIInChI=1S/C7H18N4OS/c1-4-9-7(11-8)10-5-6(2)13(3)12/h6H,4-5,8H2,1-3H3,(H2,9,10,11)
InChIKeyCXZYZZSERQQBSA-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.82
Rot. Bonds4

About 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine

1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine (PubChem CID 104888729) has the molecular formula C7H18N4OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine
PubChem CID104888729
Molecular FormulaC7H18N4OS
Molecular Weight206.31 g/mol
Exact Mass206.12
IUPAC Name1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine
SMILESCCN/C(=N\CC(C)S(C)=O)NN
InChIInChI=1S/C7H18N4OS/c1-4-9-7(11-8)10-5-6(2)13(3)12/h6H,4-5,8H2,1-3H3,(H2,9,10,11)
InChIKeyCXZYZZSERQQBSA-UHFFFAOYSA-N
XLogP-0.82
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.82
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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Related Compounds

1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine
CID 104886880
N-ethyl-2-[[ethylamino(hydrazinyl)methylidene]amino]acetamide
CID 104883987
N,N-diethyl-2-[[ethylamino(hydrazinyl)methylidene]amino]acetamide
CID 104888425
1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 104882910
1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885802
N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104885363
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
methyl 3-[bis(ethylamino)methylideneamino]-2-methylpropanoate;hydroiodide
CID 110930532
1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
CID 104885007
1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888051
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
CID 104884569

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine (CID 104888729) is 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine is CCN/C(=N\CC(C)S(C)=O)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine?
The InChIKey is CXZYZZSERQQBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4OS/c1-4-9-7(11-8)10-5-6(2)13(3)12/h6H,4-5,8H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine?
1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine has a molecular weight of 206.31 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-(2-methylsulfinylpropyl)guanidine is sourced from PubChem (CID 104888729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).