(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide

C12H17N3O3S — CID 119289907

IUPAC(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C12H17N3O3S/c1-9(13)12(16)14-10-4-2-5-11(8-10)15-6-3-7-19(15,17)18/h2,4-5,8-9H,3,6-7,13H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyWLJWEWJIXLOPHN-SECBINFHSA-N
MW283.35 g/mol
LogP0.51
Rot. Bonds3

About (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide

(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide (PubChem CID 119289907) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
PubChem CID119289907
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C12H17N3O3S/c1-9(13)12(16)14-10-4-2-5-11(8-10)15-6-3-7-19(15,17)18/h2,4-5,8-9H,3,6-7,13H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyWLJWEWJIXLOPHN-SECBINFHSA-N
XLogP0.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
CID 120985942
3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
CID 110302278
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46696009
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
CID 45493330
(2S)-2-amino-N-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]propanamide
CID 22689828
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
CID 110312880
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 86994509
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide
CID 110353565
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]prop-2-enamide
CID 166415169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide (CID 119289907) is (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide is C[C@@H](N)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
The InChIKey is WLJWEWJIXLOPHN-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9(13)12(16)14-10-4-2-5-11(8-10)15-6-3-7-19(15,17)18/h2,4-5,8-9H,3,6-7,13H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide has a molecular weight of 283.35 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 119289907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).