N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine

C19H24N2O3S — CID 70718623

IUPACN-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine
SMILESCCN(Cc1cccc(OCc2ccccn2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O3S/c1-2-21(18-9-11-25(22,23)15-18)13-16-6-5-8-19(12-16)24-14-17-7-3-4-10-20-17/h3-8,10,12,18H,2,9,11,13-15H2,1H3
InChIKeyVEMPBFHYHPMEQW-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.67
Rot. Bonds7

About N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine

N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine (PubChem CID 70718623) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine
PubChem CID70718623
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine
SMILESCCN(Cc1cccc(OCc2ccccn2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O3S/c1-2-21(18-9-11-25(22,23)15-18)13-16-6-5-8-19(12-16)24-14-17-7-3-4-10-20-17/h3-8,10,12,18H,2,9,11,13-15H2,1H3
InChIKeyVEMPBFHYHPMEQW-UHFFFAOYSA-N
XLogP2.67
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,1-dioxo-N-[(3-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 55831232
(3S)-N-[(4-aminophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 93463712
N-[3-[3-(aminomethyl)phenoxy]propyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648588
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 110389197
1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 99931473
N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine
CID 75385897
(3R)-N-[(2-chlorophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 129370050
(3R)-N-benzyl-N-butyl-1,1-dioxothiolan-3-amine
CID 129370820
5-[[benzyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-N,N-dimethylpyridin-2-amine
CID 99942006
(3S)-N-benzyl-N-[(4-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 129370823
[(3S,6R)-6-(dimethylamino)-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]azepan-3-yl]methanol
CID 171908272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine?
The IUPAC name of N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine (CID 70718623) is N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine.
What is the SMILES notation for N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine?
The canonical SMILES for N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine is CCN(Cc1cccc(OCc2ccccn2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine?
The InChIKey is VEMPBFHYHPMEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-21(18-9-11-25(22,23)15-18)13-16-6-5-8-19(12-16)24-14-17-7-3-4-10-20-17/h3-8,10,12,18H,2,9,11,13-15H2,1H3.
What are the key properties of N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine?
N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine has a molecular weight of 360.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine is sourced from PubChem (CID 70718623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).