4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one

C7H13N3O2S — CID 155541180

IUPAC4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one
SMILESN[C@@H](CS)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H13N3O2S/c8-5(4-13)7(12)10-2-1-9-6(11)3-10/h5,13H,1-4,8H2,(H,9,11)/t5-/m0/s1
InChIKeyOYZYROFKNILUNP-YFKPBYRVSA-N
MW203.27 g/mol
LogP-1.80
Rot. Bonds2

About 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one

4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one (PubChem CID 155541180) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one
PubChem CID155541180
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one
SMILESN[C@@H](CS)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H13N3O2S/c8-5(4-13)7(12)10-2-1-9-6(11)3-10/h5,13H,1-4,8H2,(H,9,11)/t5-/m0/s1
InChIKeyOYZYROFKNILUNP-YFKPBYRVSA-N
XLogP-1.80
TPSA75.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one?
The IUPAC name of 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one (CID 155541180) is 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one.
What is the SMILES notation for 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one?
The canonical SMILES for 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one is N[C@@H](CS)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one?
The InChIKey is OYZYROFKNILUNP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-5(4-13)7(12)10-2-1-9-6(11)3-10/h5,13H,1-4,8H2,(H,9,11)/t5-/m0/s1.
What are the key properties of 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one?
4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one has a molecular weight of 203.27 g/mol, XLogP of -1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one is sourced from PubChem (CID 155541180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).