1-hydroxy-2-(3-methylsulfonylpropyl)guanidine

C5H13N3O3S — CID 62484142

IUPAC1-hydroxy-2-(3-methylsulfonylpropyl)guanidine
SMILESCS(=O)(=O)CCC/N=C(\N)NO
InChIInChI=1S/C5H13N3O3S/c1-12(10,11)4-2-3-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8)
InChIKeyHRDBXSOVVZMPKI-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.29
Rot. Bonds4

About 1-hydroxy-2-(3-methylsulfonylpropyl)guanidine

1-hydroxy-2-(3-methylsulfonylpropyl)guanidine (PubChem CID 62484142) has the molecular formula C5H13N3O3S and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-hydroxy-2-(3-methylsulfonylpropyl)guanidine.

Molecular Properties

Compound Name1-hydroxy-2-(3-methylsulfonylpropyl)guanidine
PubChem CID62484142
Molecular FormulaC5H13N3O3S
Molecular Weight195.24 g/mol
Exact Mass195.07
IUPAC Name1-hydroxy-2-(3-methylsulfonylpropyl)guanidine
SMILESCS(=O)(=O)CCC/N=C(\N)NO
InChIInChI=1S/C5H13N3O3S/c1-12(10,11)4-2-3-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8)
InChIKeyHRDBXSOVVZMPKI-UHFFFAOYSA-N
XLogP-1.29
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hydroxy-2-(3-methylsulfonylpropyl)guanidine?
The IUPAC name of 1-hydroxy-2-(3-methylsulfonylpropyl)guanidine (CID 62484142) is 1-hydroxy-2-(3-methylsulfonylpropyl)guanidine.
What is the SMILES notation for 1-hydroxy-2-(3-methylsulfonylpropyl)guanidine?
The canonical SMILES for 1-hydroxy-2-(3-methylsulfonylpropyl)guanidine is CS(=O)(=O)CCC/N=C(\N)NO.
What is the InChIKey of 1-hydroxy-2-(3-methylsulfonylpropyl)guanidine?
The InChIKey is HRDBXSOVVZMPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O3S/c1-12(10,11)4-2-3-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8).
What are the key properties of 1-hydroxy-2-(3-methylsulfonylpropyl)guanidine?
1-hydroxy-2-(3-methylsulfonylpropyl)guanidine has a molecular weight of 195.24 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(3-methylsulfonylpropyl)guanidine is sourced from PubChem (CID 62484142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).