1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine

C6H13N3O3S — CID 130774826

IUPAC1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
SMILESCS(=O)(=O)C1(C/N=C(\N)NO)CC1
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)6(2-3-6)4-8-5(7)9-10/h10H,2-4H2,1H3,(H3,7,8,9)
InChIKeyQARJDAQYJRVYGB-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.14
Rot. Bonds3

About 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine

1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine (PubChem CID 130774826) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
PubChem CID130774826
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
SMILESCS(=O)(=O)C1(C/N=C(\N)NO)CC1
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)6(2-3-6)4-8-5(7)9-10/h10H,2-4H2,1H3,(H3,7,8,9)
InChIKeyQARJDAQYJRVYGB-UHFFFAOYSA-N
XLogP-1.14
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-[(1-methylsulfonylcyclopropyl)methyl]-1-propylguanidine
CID 120662788
1-(2-methylprop-2-enyl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
CID 120662776
2-[(1-methylsulfonylcyclopropyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120662733
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120662757
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
CID 120662740
1-(3,5-dimethylphenyl)-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine;hydroiodide
CID 120973782
1-(3,5-dimethylphenyl)-2-[(4-methylsulfonyloxan-4-yl)methyl]guanidine
CID 111815970
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 120662779
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine (CID 130774826) is 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine is CS(=O)(=O)C1(C/N=C(\N)NO)CC1.
What is the InChIKey of 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
The InChIKey is QARJDAQYJRVYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-13(11,12)6(2-3-6)4-8-5(7)9-10/h10H,2-4H2,1H3,(H3,7,8,9).
What are the key properties of 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine?
1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine has a molecular weight of 207.25 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 130774826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).