(Z)-3-aminoicos-11-enethioamide

C20H40N2S — CID 174793304

IUPAC(Z)-3-aminoicos-11-enethioamide
SMILESCCCCCCCC/C=C\CCCCCCCC(N)CC(N)=S
InChIInChI=1S/C20H40N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h9-10,19H,2-8,11-18,21H2,1H3,(H2,22,23)/b10-9-
InChIKeyUSKIEZORWGJAEH-KTKRTIGZSA-N
MW340.62 g/mol
LogP6.03
Rot. Bonds17

About (Z)-3-aminoicos-11-enethioamide

(Z)-3-aminoicos-11-enethioamide (PubChem CID 174793304) has the molecular formula C20H40N2S and a molecular weight of 340.62 g/mol. Its IUPAC name is (Z)-3-aminoicos-11-enethioamide.

Molecular Properties

Compound Name(Z)-3-aminoicos-11-enethioamide
PubChem CID174793304
Molecular FormulaC20H40N2S
Molecular Weight340.62 g/mol
Exact Mass340.29
IUPAC Name(Z)-3-aminoicos-11-enethioamide
SMILESCCCCCCCC/C=C\CCCCCCCC(N)CC(N)=S
InChIInChI=1S/C20H40N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h9-10,19H,2-8,11-18,21H2,1H3,(H2,22,23)/b10-9-
InChIKeyUSKIEZORWGJAEH-KTKRTIGZSA-N
XLogP6.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

heptatriaconta-6,28-dien-19-amine
CID 123539967
(Z)-2-aminooctadec-9-enamide
CID 56663673
17-aminohexatriacont-27-ene-16,18-diol
CID 123784672
(9Z,12Z)-octadeca-9,12-dien-4-amine
CID 140562602
2-hexadecylicos-11-enamide
CID 173011844
(Z)-octacos-19-ene-10,11-diol
CID 87651448
octacos-21-en-10-ol
CID 163011476
(E)-2-methyloctadec-9-enamide
CID 19371032
(Z)-2-aminoicos-11-ene-1,1,1-triol;hydrobromide
CID 173363645
2-triacont-19-enylbutanediamide
CID 155758594
icos-9-en-2-ol
CID 91416664
3-aminoundecanamide
CID 154005326

Frequently Asked Questions

What is the IUPAC name of (Z)-3-aminoicos-11-enethioamide?
The IUPAC name of (Z)-3-aminoicos-11-enethioamide (CID 174793304) is (Z)-3-aminoicos-11-enethioamide.
What is the SMILES notation for (Z)-3-aminoicos-11-enethioamide?
The canonical SMILES for (Z)-3-aminoicos-11-enethioamide is CCCCCCCC/C=C\CCCCCCCC(N)CC(N)=S.
What is the InChIKey of (Z)-3-aminoicos-11-enethioamide?
The InChIKey is USKIEZORWGJAEH-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H40N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h9-10,19H,2-8,11-18,21H2,1H3,(H2,22,23)/b10-9-.
What are the key properties of (Z)-3-aminoicos-11-enethioamide?
(Z)-3-aminoicos-11-enethioamide has a molecular weight of 340.62 g/mol, XLogP of 6.03, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-aminoicos-11-enethioamide is sourced from PubChem (CID 174793304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).