(2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide

C6H10N2O2S — CID 54461783

IUPAC(2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide
SMILESC=CC(=O)N[C@@H](CS)C(N)=O
InChIInChI=1S/C6H10N2O2S/c1-2-5(9)8-4(3-11)6(7)10/h2,4,11H,1,3H2,(H2,7,10)(H,8,9)/t4-/m0/s1
InChIKeyXCCMUFRVYZVKNT-BYPYZUCNSA-N
MW174.22 g/mol
LogP-0.93
Rot. Bonds4

About (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide

(2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide (PubChem CID 54461783) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide
PubChem CID54461783
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name(2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide
SMILESC=CC(=O)N[C@@H](CS)C(N)=O
InChIInChI=1S/C6H10N2O2S/c1-2-5(9)8-4(3-11)6(7)10/h2,4,11H,1,3H2,(H2,7,10)(H,8,9)/t4-/m0/s1
InChIKeyXCCMUFRVYZVKNT-BYPYZUCNSA-N
XLogP-0.93
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-prop-2-enoyl-3-sulfanylpropanamide
CID 22880468
(2R)-2-amino-N,N-di(prop-2-enoyl)-3-sulfanylpropanamide
CID 22880469
2-(Prop-2-enoylamino)propanamide
CID 43616708
(2S)-2-(prop-2-enoylamino)propanamide
CID 54128523
N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-2-methylprop-2-enamide
CID 54215988
(2S)-4-methylsulfanyl-2-(prop-2-enoylamino)butanamide
CID 54296841
4-Methylsulfanyl-2-(prop-2-enoylamino)butanamide
CID 76118203
2-(Prop-2-enoylamino)-3-sulfanylpropanamide
CID 76128470
2-amino-N-prop-2-enyl-3-sulfanylpropanamide
CID 84107841
N-(cyanomethyl)-3-methylsulfanyl-2-(prop-2-enoylamino)propanamide
CID 87927904
N-pentyl-2-(prop-2-enoylamino)-3-sulfanylpropanamide
CID 88958970
(2R)-2-amino-N-[(Z)-but-2-enyl]-3-sulfanylpropanamide
CID 89096568

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide (CID 54461783) is (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide is C=CC(=O)N[C@@H](CS)C(N)=O.
What is the InChIKey of (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide?
The InChIKey is XCCMUFRVYZVKNT-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-2-5(9)8-4(3-11)6(7)10/h2,4,11H,1,3H2,(H2,7,10)(H,8,9)/t4-/m0/s1.
What are the key properties of (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide?
(2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide has a molecular weight of 174.22 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(prop-2-enoylamino)-3-sulfanylpropanamide is sourced from PubChem (CID 54461783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).