(2R)-2-hydroxy-3-methylsulfonylpropanimidamide

C4H10N2O3S — CID 134558608

IUPAC(2R)-2-hydroxy-3-methylsulfonylpropanimidamide
SMILES[H]/N=C(\N)[C@@H](O)CS(C)(=O)=O
InChIInChI=1S/C4H10N2O3S/c1-10(8,9)2-3(7)4(5)6/h3,7H,2H2,1H3,(H3,5,6)/t3-/m0/s1
InChIKeySUBAEEQERZGADY-VKHMYHEASA-N
MW166.20 g/mol
LogP-1.67
Rot. Bonds3

About (2R)-2-hydroxy-3-methylsulfonylpropanimidamide

(2R)-2-hydroxy-3-methylsulfonylpropanimidamide (PubChem CID 134558608) has the molecular formula C4H10N2O3S and a molecular weight of 166.20 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-methylsulfonylpropanimidamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-methylsulfonylpropanimidamide
PubChem CID134558608
Molecular FormulaC4H10N2O3S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name(2R)-2-hydroxy-3-methylsulfonylpropanimidamide
SMILES[H]/N=C(\N)[C@@H](O)CS(C)(=O)=O
InChIInChI=1S/C4H10N2O3S/c1-10(8,9)2-3(7)4(5)6/h3,7H,2H2,1H3,(H3,5,6)/t3-/m0/s1
InChIKeySUBAEEQERZGADY-VKHMYHEASA-N
XLogP-1.67
TPSA104.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.67
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-methylsulfonylpropanimidamide?
The IUPAC name of (2R)-2-hydroxy-3-methylsulfonylpropanimidamide (CID 134558608) is (2R)-2-hydroxy-3-methylsulfonylpropanimidamide.
What is the SMILES notation for (2R)-2-hydroxy-3-methylsulfonylpropanimidamide?
The canonical SMILES for (2R)-2-hydroxy-3-methylsulfonylpropanimidamide is [H]/N=C(\N)[C@@H](O)CS(C)(=O)=O.
What is the InChIKey of (2R)-2-hydroxy-3-methylsulfonylpropanimidamide?
The InChIKey is SUBAEEQERZGADY-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2O3S/c1-10(8,9)2-3(7)4(5)6/h3,7H,2H2,1H3,(H3,5,6)/t3-/m0/s1.
What are the key properties of (2R)-2-hydroxy-3-methylsulfonylpropanimidamide?
(2R)-2-hydroxy-3-methylsulfonylpropanimidamide has a molecular weight of 166.20 g/mol, XLogP of -1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-methylsulfonylpropanimidamide is sourced from PubChem (CID 134558608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).