(2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide

C14H23NS — CID 138726522

IUPAC(2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide
SMILESC=C/C(=C\C/C=C(\C)C(=S)N(C)C)CCC
InChIInChI=1S/C14H23NS/c1-6-9-13(7-2)11-8-10-12(3)14(16)15(4)5/h7,10-11H,2,6,8-9H2,1,3-5H3/b12-10+,13-11+
InChIKeyJQZAPHCEPWUITK-DCIPZJNNSA-N
MW237.41 g/mol
LogP4.12
Rot. Bonds6

About (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide

(2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide (PubChem CID 138726522) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide.

Molecular Properties

Compound Name(2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide
PubChem CID138726522
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name(2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide
SMILESC=C/C(=C\C/C=C(\C)C(=S)N(C)C)CCC
InChIInChI=1S/C14H23NS/c1-6-9-13(7-2)11-8-10-12(3)14(16)15(4)5/h7,10-11H,2,6,8-9H2,1,3-5H3/b12-10+,13-11+
InChIKeyJQZAPHCEPWUITK-DCIPZJNNSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.12
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
(E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
CID 167054531
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide
CID 142205210
5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole
CID 143345882
4-methyl-N,N-bis(prop-2-enyl)pent-3-enethioamide
CID 177414188
N,N-dimethylcyclopenta-1,2,4-triene-1-carbothioamide
CID 177588064

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide?
The IUPAC name of (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide (CID 138726522) is (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide.
What is the SMILES notation for (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide?
The canonical SMILES for (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide is C=C/C(=C\C/C=C(\C)C(=S)N(C)C)CCC.
What is the InChIKey of (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide?
The InChIKey is JQZAPHCEPWUITK-DCIPZJNNSA-N. The full InChI is InChI=1S/C14H23NS/c1-6-9-13(7-2)11-8-10-12(3)14(16)15(4)5/h7,10-11H,2,6,8-9H2,1,3-5H3/b12-10+,13-11+.
What are the key properties of (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide?
(2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide has a molecular weight of 237.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-6-ethenyl-N,N,2-trimethylnona-2,5-dienethioamide is sourced from PubChem (CID 138726522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).