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

C15H26N2O3S — CID 62431997

IUPACN-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1oc(CNCC(C)C)cc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H26N2O3S/c1-12(2)9-16-10-15-8-14(13(3)20-15)11-17-4-6-21(18,19)7-5-17/h8,12,16H,4-7,9-11H2,1-3H3
InChIKeyLYBCIVYBOPMNAI-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.56
Rot. Bonds6

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

N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62431997) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62431997
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1oc(CNCC(C)C)cc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H26N2O3S/c1-12(2)9-16-10-15-8-14(13(3)20-15)11-17-4-6-21(18,19)7-5-17/h8,12,16H,4-7,9-11H2,1-3H3
InChIKeyLYBCIVYBOPMNAI-UHFFFAOYSA-N
XLogP1.56
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62431812
N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63620461
2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62417857
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62420081
2-methyl-N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62425019
2-methyl-N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62447754
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62427807
2-methyl-N-[[5-methyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79841917
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 81068266
2-methyl-N-[[5-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62427794

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]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 62431997) is N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is Cc1oc(CNCC(C)C)cc1CN1CCS(=O)(=O)CC1.
What is the InChIKey of N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LYBCIVYBOPMNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-12(2)9-16-10-15-8-14(13(3)20-15)11-17-4-6-21(18,19)7-5-17/h8,12,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 314.45 g/mol, XLogP of 1.56, 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]-2-methylpropan-1-amine is sourced from PubChem (CID 62431997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).