(E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide

C7H14N2OS — CID 131248313

IUPAC(E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide
SMILESCS/C=C/C(=O)N[C@@H](C)CN
InChIInChI=1S/C7H14N2OS/c1-6(5-8)9-7(10)3-4-11-2/h3-4,6H,5,8H2,1-2H3,(H,9,10)/b4-3+/t6-/m0/s1
InChIKeyCPZFJDHIAIAUCU-YUDCMIJISA-N
MW174.27 g/mol
LogP0.33
Rot. Bonds4

About (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide

(E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide (PubChem CID 131248313) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide
PubChem CID131248313
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name(E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide
SMILESCS/C=C/C(=O)N[C@@H](C)CN
InChIInChI=1S/C7H14N2OS/c1-6(5-8)9-7(10)3-4-11-2/h3-4,6H,5,8H2,1-2H3,(H,9,10)/b4-3+/t6-/m0/s1
InChIKeyCPZFJDHIAIAUCU-YUDCMIJISA-N
XLogP0.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide?
The IUPAC name of (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide (CID 131248313) is (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide is CS/C=C/C(=O)N[C@@H](C)CN.
What is the InChIKey of (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide?
The InChIKey is CPZFJDHIAIAUCU-YUDCMIJISA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6(5-8)9-7(10)3-4-11-2/h3-4,6H,5,8H2,1-2H3,(H,9,10)/b4-3+/t6-/m0/s1.
What are the key properties of (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide?
(E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide has a molecular weight of 174.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide is sourced from PubChem (CID 131248313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).