(Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide

C12H23NOS — CID 129039868

IUPAC(Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide
SMILESCCNC(=O)/C(SC(C)C)=C(\C)C(C)C
InChIInChI=1S/C12H23NOS/c1-7-13-12(14)11(15-9(4)5)10(6)8(2)3/h8-9H,7H2,1-6H3,(H,13,14)/b11-10-
InChIKeyAUAQTMRQBTXEFJ-KHPPLWFESA-N
MW229.39 g/mol
LogP3.19
Rot. Bonds5

About (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide

(Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide (PubChem CID 129039868) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide
PubChem CID129039868
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name(Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide
SMILESCCNC(=O)/C(SC(C)C)=C(\C)C(C)C
InChIInChI=1S/C12H23NOS/c1-7-13-12(14)11(15-9(4)5)10(6)8(2)3/h8-9H,7H2,1-6H3,(H,13,14)/b11-10-
InChIKeyAUAQTMRQBTXEFJ-KHPPLWFESA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 53.19
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 (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide?
The IUPAC name of (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide (CID 129039868) is (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide?
The canonical SMILES for (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide is CCNC(=O)/C(SC(C)C)=C(\C)C(C)C.
What is the InChIKey of (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide?
The InChIKey is AUAQTMRQBTXEFJ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H23NOS/c1-7-13-12(14)11(15-9(4)5)10(6)8(2)3/h8-9H,7H2,1-6H3,(H,13,14)/b11-10-.
What are the key properties of (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide?
(Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide has a molecular weight of 229.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3,4-dimethyl-2-propan-2-ylsulfanylpent-2-enamide is sourced from PubChem (CID 129039868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).