N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide

C15H16N2OS — CID 21486885

IUPACN-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide
SMILESCOC(C(=S)NC1CC1)c1ccc2ccccc2n1
InChIInChI=1S/C15H16N2OS/c1-18-14(15(19)16-11-7-8-11)13-9-6-10-4-2-3-5-12(10)17-13/h2-6,9,11,14H,7-8H2,1H3,(H,16,19)
InChIKeyUHZOGNWSSCCMGF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.00
Rot. Bonds4

About N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide

N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide (PubChem CID 21486885) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide
PubChem CID21486885
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide
SMILESCOC(C(=S)NC1CC1)c1ccc2ccccc2n1
InChIInChI=1S/C15H16N2OS/c1-18-14(15(19)16-11-7-8-11)13-9-6-10-4-2-3-5-12(10)17-13/h2-6,9,11,14H,7-8H2,1H3,(H,16,19)
InChIKeyUHZOGNWSSCCMGF-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
N-prop-2-enyl-2-quinolin-2-ylpropanethioamide
CID 88842883
amino(quinolin-2-yl)methanol
CID 154237779
2-(1-chloroethyl)quinoline
CID 14750485
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
1-acridin-3-yl-3-cyclopropylthiourea
CID 126196525
(R)-cyclobutyl(quinolin-2-yl)methanamine;hydrochloride
CID 171216952
ethane;2-propan-2-ylquinoline
CID 142538504
methane;2-propan-2-ylquinoline
CID 161334581
N-cyclopropyl-2-(quinolin-2-ylmethylamino)acetamide
CID 43401916
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
methyl 4-methyl-2-quinolin-2-ylpentanoate
CID 174662465

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide?
The IUPAC name of N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide (CID 21486885) is N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide.
What is the SMILES notation for N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide?
The canonical SMILES for N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide is COC(C(=S)NC1CC1)c1ccc2ccccc2n1.
What is the InChIKey of N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide?
The InChIKey is UHZOGNWSSCCMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-18-14(15(19)16-11-7-8-11)13-9-6-10-4-2-3-5-12(10)17-13/h2-6,9,11,14H,7-8H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide?
N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide has a molecular weight of 272.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-2-quinolin-2-ylethanethioamide is sourced from PubChem (CID 21486885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).