(E)-3-tert-butylsulfanylprop-2-enamide

C7H13NOS — CID 6063118

IUPAC(E)-3-tert-butylsulfanylprop-2-enamide
SMILESCC(C)(C)S/C=C/C(N)=O
InChIInChI=1S/C7H13NOS/c1-7(2,3)10-5-4-6(8)9/h4-5H,1-3H3,(H2,8,9)/b5-4+
InChIKeyUTURRRPPLDSNSU-SNAWJCMRSA-N
MW159.25 g/mol
LogP1.52
Rot. Bonds2

About (E)-3-tert-butylsulfanylprop-2-enamide

(E)-3-tert-butylsulfanylprop-2-enamide (PubChem CID 6063118) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (E)-3-tert-butylsulfanylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-tert-butylsulfanylprop-2-enamide
PubChem CID6063118
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(E)-3-tert-butylsulfanylprop-2-enamide
SMILESCC(C)(C)S/C=C/C(N)=O
InChIInChI=1S/C7H13NOS/c1-7(2,3)10-5-4-6(8)9/h4-5H,1-3H3,(H2,8,9)/b5-4+
InChIKeyUTURRRPPLDSNSU-SNAWJCMRSA-N
XLogP1.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-tert-butylsulfanylprop-2-enamide?
The IUPAC name of (E)-3-tert-butylsulfanylprop-2-enamide (CID 6063118) is (E)-3-tert-butylsulfanylprop-2-enamide.
What is the SMILES notation for (E)-3-tert-butylsulfanylprop-2-enamide?
The canonical SMILES for (E)-3-tert-butylsulfanylprop-2-enamide is CC(C)(C)S/C=C/C(N)=O.
What is the InChIKey of (E)-3-tert-butylsulfanylprop-2-enamide?
The InChIKey is UTURRRPPLDSNSU-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(2,3)10-5-4-6(8)9/h4-5H,1-3H3,(H2,8,9)/b5-4+.
What are the key properties of (E)-3-tert-butylsulfanylprop-2-enamide?
(E)-3-tert-butylsulfanylprop-2-enamide has a molecular weight of 159.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-tert-butylsulfanylprop-2-enamide is sourced from PubChem (CID 6063118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).