3-amino-2-hydroxy-N-methylsulfonylpropanamide

C4H10N2O4S — CID 166957564

IUPAC3-amino-2-hydroxy-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)C(O)CN
InChIInChI=1S/C4H10N2O4S/c1-11(9,10)6-4(8)3(7)2-5/h3,7H,2,5H2,1H3,(H,6,8)
InChIKeyBVGRDKQZXYBSSZ-UHFFFAOYSA-N
MW182.20 g/mol
LogP-2.62
Rot. Bonds3

About 3-amino-2-hydroxy-N-methylsulfonylpropanamide

3-amino-2-hydroxy-N-methylsulfonylpropanamide (PubChem CID 166957564) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methylsulfonylpropanamide
PubChem CID166957564
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Name3-amino-2-hydroxy-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)C(O)CN
InChIInChI=1S/C4H10N2O4S/c1-11(9,10)6-4(8)3(7)2-5/h3,7H,2,5H2,1H3,(H,6,8)
InChIKeyBVGRDKQZXYBSSZ-UHFFFAOYSA-N
XLogP-2.62
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-2.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methylsulfonylpropanamide?
The IUPAC name of 3-amino-2-hydroxy-N-methylsulfonylpropanamide (CID 166957564) is 3-amino-2-hydroxy-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methylsulfonylpropanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methylsulfonylpropanamide is CS(=O)(=O)NC(=O)C(O)CN.
What is the InChIKey of 3-amino-2-hydroxy-N-methylsulfonylpropanamide?
The InChIKey is BVGRDKQZXYBSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c1-11(9,10)6-4(8)3(7)2-5/h3,7H,2,5H2,1H3,(H,6,8).
What are the key properties of 3-amino-2-hydroxy-N-methylsulfonylpropanamide?
3-amino-2-hydroxy-N-methylsulfonylpropanamide has a molecular weight of 182.20 g/mol, XLogP of -2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methylsulfonylpropanamide is sourced from PubChem (CID 166957564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).