N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine

C13H22N2O3S — CID 102886933

IUPACN-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H22N2O3S/c1-3-14-8-13-12(4-6-18-13)9-15-5-7-19(16,17)10-11(15)2/h4,6,11,14H,3,5,7-10H2,1-2H3
InChIKeyFURZPIBMZARFIR-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.01
Rot. Bonds5

About N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine

N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 102886933) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
PubChem CID102886933
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H22N2O3S/c1-3-14-8-13-12(4-6-18-13)9-15-5-7-19(16,17)10-11(15)2/h4,6,11,14H,3,5,7-10H2,1-2H3
InChIKeyFURZPIBMZARFIR-UHFFFAOYSA-N
XLogP1.01
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102886841
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 63620967
N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438856
N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 102886526
N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
CID 62422863
4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102884113
N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 55072759
N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine
CID 102886883
N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62425183
N-[[3-[(1-methylpiperidin-4-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 55073433
N-[[3-(1,4-thiazepan-4-ylmethyl)furan-2-yl]methyl]ethanamine
CID 55069141
N-[[2-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62419893

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine (CID 102886933) is N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1CN1CCS(=O)(=O)CC1C.
What is the InChIKey of N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is FURZPIBMZARFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-14-8-13-12(4-6-18-13)9-15-5-7-19(16,17)10-11(15)2/h4,6,11,14H,3,5,7-10H2,1-2H3.
What are the key properties of N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 102886933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).