N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine

C14H24N2O3S — CID 62431812

IUPACN-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCS(=O)(=O)CC2)c(C)o1
InChIInChI=1S/C14H24N2O3S/c1-3-4-15-10-14-9-13(12(2)19-14)11-16-5-7-20(17,18)8-6-16/h9,15H,3-8,10-11H2,1-2H3
InChIKeyLKKJKDSFYGOSSP-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.32
Rot. Bonds6

About N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine

N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 62431812) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID62431812
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCS(=O)(=O)CC2)c(C)o1
InChIInChI=1S/C14H24N2O3S/c1-3-4-15-10-14-9-13(12(2)19-14)11-16-5-7-20(17,18)8-6-16/h9,15H,3-8,10-11H2,1-2H3
InChIKeyLKKJKDSFYGOSSP-UHFFFAOYSA-N
XLogP1.32
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62431997
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55074153
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62432159
N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine
CID 81465367
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 102967917
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555987
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63159756
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
N-[[5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 107456286
N-[[4-[[bis(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62438260
N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62417443
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine (CID 62431812) is N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN2CCS(=O)(=O)CC2)c(C)o1.
What is the InChIKey of N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is LKKJKDSFYGOSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-4-15-10-14-9-13(12(2)19-14)11-16-5-7-20(17,18)8-6-16/h9,15H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 300.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62431812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).