N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid

C11H22N2S2 — CID 88674834

IUPACN-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid
SMILESC=CCN(CC)C(=S)S.C=CCNCC
InChIInChI=1S/C6H11NS2.C5H11N/c1-3-5-7(4-2)6(8)9;1-3-5-6-4-2/h3H,1,4-5H2,2H3,(H,8,9);3,6H,1,4-5H2,2H3
InChIKeyZZUKRFMUHDFLHT-UHFFFAOYSA-N
MW246.44 g/mol
LogP2.49
Rot. Bonds6

About N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid

N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid (PubChem CID 88674834) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid.

Molecular Properties

Compound NameN-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid
PubChem CID88674834
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC NameN-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid
SMILESC=CCN(CC)C(=S)S.C=CCNCC
InChIInChI=1S/C6H11NS2.C5H11N/c1-3-5-7(4-2)6(8)9;1-3-5-6-4-2/h3H,1,4-5H2,2H3,(H,8,9);3,6H,1,4-5H2,2H3
InChIKeyZZUKRFMUHDFLHT-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 52.49
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid 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

diethylcarbamodithioic acid;N-ethylethanamine
CID 15201
bis(prop-2-enyl)carbamodithioic acid;zinc
CID 138400386
pentyl(prop-2-enyl)carbamodithioic acid
CID 87918210
octadecyl(prop-2-enyl)carbamodithioic acid
CID 132820438
diethylcarbamodithioic acid;prop-2-en-1-amine
CID 173061027
sodium;N-ethylprop-2-en-1-amine;hydride
CID 173234565
N-prop-2-enylpropan-1-amine;prop-2-enyl(propyl)carbamothioic S-acid
CID 86741157
diethylcarbamodithioic acid;molybdenum
CID 159441063
alumane;diethylcarbamodithioic acid
CID 174602064
diethylcarbamodithioic acid;lanthanum
CID 174709287
CID 157101395
CID 157101395
diethylcarbamodithioic acid;2-phenyl-N-prop-2-enylpropan-2-amine
CID 173385686

Frequently Asked Questions

What is the IUPAC name of N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid?
The IUPAC name of N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid (CID 88674834) is N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid.
What is the SMILES notation for N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid?
The canonical SMILES for N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid is C=CCN(CC)C(=S)S.C=CCNCC.
What is the InChIKey of N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid?
The InChIKey is ZZUKRFMUHDFLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2.C5H11N/c1-3-5-7(4-2)6(8)9;1-3-5-6-4-2/h3H,1,4-5H2,2H3,(H,8,9);3,6H,1,4-5H2,2H3.
What are the key properties of N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid?
N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid has a molecular weight of 246.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid is sourced from PubChem (CID 88674834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).