(E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide

C13H23NO3S — CID 132969313

IUPAC(E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide
SMILESCC/C=C(\C)C(=O)N(C(C)CS(C)(=O)=O)C1CC1
InChIInChI=1S/C13H23NO3S/c1-5-6-10(2)13(15)14(12-7-8-12)11(3)9-18(4,16)17/h6,11-12H,5,7-9H2,1-4H3/b10-6+
InChIKeyZPTMABFWLIGRRD-UXBLZVDNSA-N
MW273.40 g/mol
LogP1.77
Rot. Bonds6

About (E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide

(E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide (PubChem CID 132969313) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is (E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide
PubChem CID132969313
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name(E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide
SMILESCC/C=C(\C)C(=O)N(C(C)CS(C)(=O)=O)C1CC1
InChIInChI=1S/C13H23NO3S/c1-5-6-10(2)13(15)14(12-7-8-12)11(3)9-18(4,16)17/h6,11-12H,5,7-9H2,1-4H3/b10-6+
InChIKeyZPTMABFWLIGRRD-UXBLZVDNSA-N
XLogP1.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
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-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide (CID 132969313) is (E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide is CC/C=C(\C)C(=O)N(C(C)CS(C)(=O)=O)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide?
The InChIKey is ZPTMABFWLIGRRD-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-5-6-10(2)13(15)14(12-7-8-12)11(3)9-18(4,16)17/h6,11-12H,5,7-9H2,1-4H3/b10-6+.
What are the key properties of (E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide?
(E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide has a molecular weight of 273.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide is sourced from PubChem (CID 132969313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).