(2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide

C11H19NS — CID 134921720

IUPAC(2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide
SMILESC=C/C(C)=C(/C)C(=S)N(CC)CC
InChIInChI=1S/C11H19NS/c1-6-9(4)10(5)11(13)12(7-2)8-3/h6H,1,7-8H2,2-5H3/b10-9-
InChIKeyLYIVSKJIYFAKJV-KTKRTIGZSA-N
MW197.35 g/mol
LogP3.18
Rot. Bonds4

About (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide

(2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide (PubChem CID 134921720) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide.

Molecular Properties

Compound Name(2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide
PubChem CID134921720
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide
SMILESC=C/C(C)=C(/C)C(=S)N(CC)CC
InChIInChI=1S/C11H19NS/c1-6-9(4)10(5)11(13)12(7-2)8-3/h6H,1,7-8H2,2-5H3/b10-9-
InChIKeyLYIVSKJIYFAKJV-KTKRTIGZSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N,N,3-triethyl-2-methylpenta-2,4-dienethioamide
CID 134921721
(2Z)-N,N,2-triethyl-3-methylpenta-2,4-dienethioamide
CID 134921792
(2Z)-N,N-diethyl-3-methyl-2-prop-1-en-2-ylpenta-2,4-dienethioamide
CID 134921867
(2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide
CID 134988149
(2Z)-N,N-diethyl-3-methyl-2-prop-1-ynylpenta-2,4-dienethioamide
CID 134988400
1,3,4-Trimethylpyridine-2-thione
CID 87663180
(2E)-2-ethenyl-N-ethyl-N-methylpenta-2,4-dien-1-amine
CID 90293253
2-ethenyl-N-ethyl-N-methylpenta-2,4-dien-1-amine
CID 124004379
(2E)-2-ethenyl-N,N-diethylpenta-2,4-dien-1-amine
CID 141976081
(2E)-2-ethenyl-N-ethyl-N-propylpenta-2,4-dien-1-amine
CID 142092779
(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine;methanethiol
CID 142250385
3,4-Bis(ethenyl)-1-methyl-2,5-dihydropyrrole;ethane
CID 143218886

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide?
The IUPAC name of (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide (CID 134921720) is (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide.
What is the SMILES notation for (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide?
The canonical SMILES for (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide is C=C/C(C)=C(/C)C(=S)N(CC)CC.
What is the InChIKey of (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide?
The InChIKey is LYIVSKJIYFAKJV-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H19NS/c1-6-9(4)10(5)11(13)12(7-2)8-3/h6H,1,7-8H2,2-5H3/b10-9-.
What are the key properties of (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide?
(2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide has a molecular weight of 197.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide is sourced from PubChem (CID 134921720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).