N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine

C19H20N2O3S — CID 18154589

IUPACN-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(N(Cc2ccco2)Cc2cccc3cccnc23)C1
InChIInChI=1S/C19H20N2O3S/c22-25(23)11-8-17(14-25)21(13-18-7-3-10-24-18)12-16-5-1-4-15-6-2-9-20-19(15)16/h1-7,9-10,17H,8,11-14H2
InChIKeyNCEMFOAHHGFRQK-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.02
Rot. Bonds5

About N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine

N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine (PubChem CID 18154589) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
PubChem CID18154589
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(N(Cc2ccco2)Cc2cccc3cccnc23)C1
InChIInChI=1S/C19H20N2O3S/c22-25(23)11-8-17(14-25)21(13-18-7-3-10-24-18)12-16-5-1-4-15-6-2-9-20-19(15)16/h1-7,9-10,17H,8,11-14H2
InChIKeyNCEMFOAHHGFRQK-UHFFFAOYSA-N
XLogP3.02
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
CID 51598744
4-[[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]methyl]benzonitrile
CID 42919726
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891
N-cyclopentyl-2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]acetamide
CID 38370943
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 124765204
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(methylcarbamoyl)acetamide
CID 94016788
N-[(2-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)cyclopropanamine
CID 55503066
7-[[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42919992
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 25479249
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
10-[[[(3R)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 26039384

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine (CID 18154589) is N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine is O=S1(=O)CCC(N(Cc2ccco2)Cc2cccc3cccnc23)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine?
The InChIKey is NCEMFOAHHGFRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-25(23)11-8-17(14-25)21(13-18-7-3-10-24-18)12-16-5-1-4-15-6-2-9-20-19(15)16/h1-7,9-10,17H,8,11-14H2.
What are the key properties of N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine?
N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine has a molecular weight of 356.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 18154589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).