(2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide

C9H15NOS — CID 132563741

IUPAC(2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide
SMILESC=CCS[C@](C)(CC=C)C(N)=O
InChIInChI=1S/C9H15NOS/c1-4-6-9(3,8(10)11)12-7-5-2/h4-5H,1-2,6-7H2,3H3,(H2,10,11)/t9-/m1/s1
InChIKeyANCIIJRQMFMIFP-SECBINFHSA-N
MW185.29 g/mol
LogP1.73
Rot. Bonds6

About (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide

(2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide (PubChem CID 132563741) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide.

Molecular Properties

Compound Name(2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide
PubChem CID132563741
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide
SMILESC=CCS[C@](C)(CC=C)C(N)=O
InChIInChI=1S/C9H15NOS/c1-4-6-9(3,8(10)11)12-7-5-2/h4-5H,1-2,6-7H2,3H3,(H2,10,11)/t9-/m1/s1
InChIKeyANCIIJRQMFMIFP-SECBINFHSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide?
The IUPAC name of (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide (CID 132563741) is (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide.
What is the SMILES notation for (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide?
The canonical SMILES for (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide is C=CCS[C@](C)(CC=C)C(N)=O.
What is the InChIKey of (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide?
The InChIKey is ANCIIJRQMFMIFP-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-6-9(3,8(10)11)12-7-5-2/h4-5H,1-2,6-7H2,3H3,(H2,10,11)/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide?
(2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide has a molecular weight of 185.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide is sourced from PubChem (CID 132563741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).