(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide

C6H12N2OS — CID 87585546

IUPAC(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide
SMILESC=CC[C@](N)(CS)C(N)=O
InChIInChI=1S/C6H12N2OS/c1-2-3-6(8,4-10)5(7)9/h2,10H,1,3-4,8H2,(H2,7,9)/t6-/m0/s1
InChIKeyPLQVJUVQAPILIR-LURJTMIESA-N
MW160.24 g/mol
LogP-0.32
Rot. Bonds4

About (2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide

(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide (PubChem CID 87585546) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is (2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide
PubChem CID87585546
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide
SMILESC=CC[C@](N)(CS)C(N)=O
InChIInChI=1S/C6H12N2OS/c1-2-3-6(8,4-10)5(7)9/h2,10H,1,3-4,8H2,(H2,7,9)/t6-/m0/s1
InChIKeyPLQVJUVQAPILIR-LURJTMIESA-N
XLogP-0.32
TPSA69.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-2-(sulfanylmethyl)pent-4-enamide?
The IUPAC name of (2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide (CID 87585546) is (2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide.
What is the SMILES notation for (2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide?
The canonical SMILES for (2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide is C=CC[C@](N)(CS)C(N)=O.
What is the InChIKey of (2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide?
The InChIKey is PLQVJUVQAPILIR-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2OS/c1-2-3-6(8,4-10)5(7)9/h2,10H,1,3-4,8H2,(H2,7,9)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide?
(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide has a molecular weight of 160.24 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide is sourced from PubChem (CID 87585546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).