(2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide

C9H12N2O3S — CID 22880469

IUPAC(2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide
SMILESC=CC(=O)N(C(=O)C=C)C(=O)[C@@H](N)CS
InChIInChI=1S/C9H12N2O3S/c1-3-7(12)11(8(13)4-2)9(14)6(10)5-15/h3-4,6,15H,1-2,5,10H2/t6-/m0/s1
InChIKeyCMYUZTWRVYNGQV-LURJTMIESA-N
MW228.27 g/mol
LogP-0.50
Rot. Bonds4

About (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide

(2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide (PubChem CID 22880469) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide
PubChem CID22880469
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name(2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide
SMILESC=CC(=O)N(C(=O)C=C)C(=O)[C@@H](N)CS
InChIInChI=1S/C9H12N2O3S/c1-3-7(12)11(8(13)4-2)9(14)6(10)5-15/h3-4,6,15H,1-2,5,10H2/t6-/m0/s1
InChIKeyCMYUZTWRVYNGQV-LURJTMIESA-N
XLogP-0.50
TPSA80.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide (CID 22880469) is (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide is C=CC(=O)N(C(=O)C=C)C(=O)[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide?
The InChIKey is CMYUZTWRVYNGQV-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-3-7(12)11(8(13)4-2)9(14)6(10)5-15/h3-4,6,15H,1-2,5,10H2/t6-/m0/s1.
What are the key properties of (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide?
(2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide has a molecular weight of 228.27 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide is sourced from PubChem (CID 22880469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).