(2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide

C10H17NS — CID 134988149

IUPAC(2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide
SMILESC=C/C=C(/C)C(=S)N(CC)CC
InChIInChI=1S/C10H17NS/c1-5-8-9(4)10(12)11(6-2)7-3/h5,8H,1,6-7H2,2-4H3/b9-8-
InChIKeyDXMSJAHSQISODT-HJWRWDBZSA-N
MW183.32 g/mol
LogP2.79
Rot. Bonds4

About (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide

(2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide (PubChem CID 134988149) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide.

Molecular Properties

Compound Name(2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide
PubChem CID134988149
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide
SMILESC=C/C=C(/C)C(=S)N(CC)CC
InChIInChI=1S/C10H17NS/c1-5-8-9(4)10(12)11(6-2)7-3/h5,8H,1,6-7H2,2-4H3/b9-8-
InChIKeyDXMSJAHSQISODT-HJWRWDBZSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.79
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'}

Analyze (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide with MolForge

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

Launch Full Analysis

Related Compounds

(2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide
CID 134921720
(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-3-methyl-2-prop-1-ynylpenta-2,4-dienethioamide
CID 134988400
Dsoypehinjbjac-uhfffaoysa-
CID 12607222
(2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine
CID 89370986
N-ethyl-N,2-dimethylocta-2,4,6-trien-1-amine
CID 123562970
N,2-dimethyl-N-propylpenta-2,4-dien-1-amine
CID 123940693
(2Z,4Z)-2-[(dimethylamino)methyl]hexa-2,4-dienethial
CID 139317176
(2Z)-2-[(dimethylamino)methyl]penta-2,4-dienethial
CID 139335731
(2E,4Z)-2-methyl-N,N-dipropylhexa-2,4-dien-1-amine
CID 141766265

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide?
The IUPAC name of (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide (CID 134988149) is (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide.
What is the SMILES notation for (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide?
The canonical SMILES for (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide is C=C/C=C(/C)C(=S)N(CC)CC.
What is the InChIKey of (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide?
The InChIKey is DXMSJAHSQISODT-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H17NS/c1-5-8-9(4)10(12)11(6-2)7-3/h5,8H,1,6-7H2,2-4H3/b9-8-.
What are the key properties of (2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide?
(2Z)-N,N-diethyl-2-methylpenta-2,4-dienethioamide has a molecular weight of 183.32 g/mol, XLogP of 2.79, 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-methylpenta-2,4-dienethioamide is sourced from PubChem (CID 134988149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).