1-(methylamino)-1,1-diphenylpent-4-ene-2-thione

C18H19NS — CID 145460952

IUPAC1-(methylamino)-1,1-diphenylpent-4-ene-2-thione
SMILESC=CCC(=S)C(NC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NS/c1-3-10-17(20)18(19-2,15-11-6-4-7-12-15)16-13-8-5-9-14-16/h3-9,11-14,19H,1,10H2,2H3
InChIKeyLPBVMNNFQBPQLI-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.10
Rot. Bonds6

About 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione

1-(methylamino)-1,1-diphenylpent-4-ene-2-thione (PubChem CID 145460952) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione.

Molecular Properties

Compound Name1-(methylamino)-1,1-diphenylpent-4-ene-2-thione
PubChem CID145460952
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name1-(methylamino)-1,1-diphenylpent-4-ene-2-thione
SMILESC=CCC(=S)C(NC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NS/c1-3-10-17(20)18(19-2,15-11-6-4-7-12-15)16-13-8-5-9-14-16/h3-9,11-14,19H,1,10H2,2H3
InChIKeyLPBVMNNFQBPQLI-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine
CID 176716504
1-phenylbut-3-ene-1-thione
CID 23072627
methylamino(phenyl)methanediol
CID 89244016
1-phenylbut-3-ene-1,1-diol
CID 134892936
1-methyl-1-phenyl-3-prop-2-enylthiourea
CID 13360327
1-phenyl-3-(4-phenylhepta-1,6-dien-4-yl)thiourea
CID 722049
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
CID 135143039
diethylcarbamodithioic acid;2-phenyl-N-prop-2-enylpropan-2-amine
CID 173385686
3-phenyl-N-prop-2-enylpentan-3-amine
CID 174436500
1-methyl-3-(2-phenylpropan-2-yl)thiourea
CID 13065164
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione?
The IUPAC name of 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione (CID 145460952) is 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione.
What is the SMILES notation for 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione?
The canonical SMILES for 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione is C=CCC(=S)C(NC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione?
The InChIKey is LPBVMNNFQBPQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-3-10-17(20)18(19-2,15-11-6-4-7-12-15)16-13-8-5-9-14-16/h3-9,11-14,19H,1,10H2,2H3.
What are the key properties of 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione?
1-(methylamino)-1,1-diphenylpent-4-ene-2-thione has a molecular weight of 281.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1,1-diphenylpent-4-ene-2-thione is sourced from PubChem (CID 145460952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).