N-prop-2-enyl-2-quinolin-2-ylpropanethioamide

C15H16N2S — CID 88842883

IUPACN-prop-2-enyl-2-quinolin-2-ylpropanethioamide
SMILESC=CCNC(=S)C(C)c1ccc2ccccc2n1
InChIInChI=1S/C15H16N2S/c1-3-10-16-15(18)11(2)13-9-8-12-6-4-5-7-14(12)17-13/h3-9,11H,1,10H2,2H3,(H,16,18)
InChIKeyLHRMMTNYYXEISN-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.44
Rot. Bonds4

About N-prop-2-enyl-2-quinolin-2-ylpropanethioamide

N-prop-2-enyl-2-quinolin-2-ylpropanethioamide (PubChem CID 88842883) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-prop-2-enyl-2-quinolin-2-ylpropanethioamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-quinolin-2-ylpropanethioamide
PubChem CID88842883
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC NameN-prop-2-enyl-2-quinolin-2-ylpropanethioamide
SMILESC=CCNC(=S)C(C)c1ccc2ccccc2n1
InChIInChI=1S/C15H16N2S/c1-3-10-16-15(18)11(2)13-9-8-12-6-4-5-7-14(12)17-13/h3-9,11H,1,10H2,2H3,(H,16,18)
InChIKeyLHRMMTNYYXEISN-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-2-ylprop-2-en-1-ol
CID 65416491
1-quinolin-2-ylbut-3-enylhydrazine
CID 105218718
methane;2-propan-2-ylquinoline
CID 161334581
ethane;2-propan-2-ylquinoline
CID 142538504
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
2-(1-chloroethyl)quinoline
CID 14750485
amino(quinolin-2-yl)methanol
CID 154237779
N-methyl-1-quinolin-2-yloct-7-en-1-amine
CID 107009092
N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide
CID 21486885
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
2-quinolin-2-ylhex-5-enamide
CID 139684131

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-quinolin-2-ylpropanethioamide?
The IUPAC name of N-prop-2-enyl-2-quinolin-2-ylpropanethioamide (CID 88842883) is N-prop-2-enyl-2-quinolin-2-ylpropanethioamide.
What is the SMILES notation for N-prop-2-enyl-2-quinolin-2-ylpropanethioamide?
The canonical SMILES for N-prop-2-enyl-2-quinolin-2-ylpropanethioamide is C=CCNC(=S)C(C)c1ccc2ccccc2n1.
What is the InChIKey of N-prop-2-enyl-2-quinolin-2-ylpropanethioamide?
The InChIKey is LHRMMTNYYXEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-3-10-16-15(18)11(2)13-9-8-12-6-4-5-7-14(12)17-13/h3-9,11H,1,10H2,2H3,(H,16,18).
What are the key properties of N-prop-2-enyl-2-quinolin-2-ylpropanethioamide?
N-prop-2-enyl-2-quinolin-2-ylpropanethioamide has a molecular weight of 256.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-quinolin-2-ylpropanethioamide is sourced from PubChem (CID 88842883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).