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

C9H16N4O2S — CID 106970443

IUPACN-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(N2CCS(=O)CC2)o1
InChIInChI=1S/C9H16N4O2S/c1-2-10-7-8-11-12-9(15-8)13-3-5-16(14)6-4-13/h10H,2-7H2,1H3
InChIKeyNWFFUASXAAAPHV-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.25
Rot. Bonds4

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

N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 106970443) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID106970443
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(N2CCS(=O)CC2)o1
InChIInChI=1S/C9H16N4O2S/c1-2-10-7-8-11-12-9(15-8)13-3-5-16(14)6-4-13/h10H,2-7H2,1H3
InChIKeyNWFFUASXAAAPHV-UHFFFAOYSA-N
XLogP-0.25
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-(4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106967471
[1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968380
N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106960424
4-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
CID 106962542
N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106962492
1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol
CID 106960694
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 107460427
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106961124
N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669
N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106968736
N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
4-methyl-1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]azepan-4-ol
CID 107409289

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 106970443) is N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(N2CCS(=O)CC2)o1.
What is the InChIKey of N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is NWFFUASXAAAPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-2-10-7-8-11-12-9(15-8)13-3-5-16(14)6-4-13/h10H,2-7H2,1H3.
What are the key properties of N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 244.32 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 106970443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).