N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine

C14H24N2O3S — CID 102886841

IUPACN-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(CN2CCS(=O)(=O)CC2C)cc1C
InChIInChI=1S/C14H24N2O3S/c1-4-15-8-14-11(2)7-13(19-14)9-16-5-6-20(17,18)10-12(16)3/h7,12,15H,4-6,8-10H2,1-3H3
InChIKeyPGPVZFWDLFUGMX-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.32
Rot. Bonds5

About N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine

N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 102886841) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
PubChem CID102886841
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(CN2CCS(=O)(=O)CC2C)cc1C
InChIInChI=1S/C14H24N2O3S/c1-4-15-8-14-11(2)7-13(19-14)9-16-5-6-20(17,18)10-12(16)3/h7,12,15H,4-6,8-10H2,1-3H3
InChIKeyPGPVZFWDLFUGMX-UHFFFAOYSA-N
XLogP1.32
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-methyl-5-[(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-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine
CID 102886883
N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 102886971
N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102886933
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62432618
N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62446909
5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 102884412
N-[[3-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62438980
N-methyl-1-[3-methyl-5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 55070259
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 102967918
N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 63864021
N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 114597009
N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63621667

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine (CID 102886841) is N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine is CCNCc1oc(CN2CCS(=O)(=O)CC2C)cc1C.
What is the InChIKey of N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is PGPVZFWDLFUGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-15-8-14-11(2)7-13(19-14)9-16-5-6-20(17,18)10-12(16)3/h7,12,15H,4-6,8-10H2,1-3H3.
What are the key properties of N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine?
N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 300.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 102886841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).