1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine

C10H17N3O3S — CID 114083746

IUPAC1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(N2CCCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H17N3O3S/c1-11-7-9-8-16-10(12-9)13-3-2-5-17(14,15)6-4-13/h8,11H,2-7H2,1H3
InChIKeyUADADNVCQTWOMH-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.02
Rot. Bonds3

About 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine

1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 114083746) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID114083746
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(N2CCCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H17N3O3S/c1-11-7-9-8-16-10(12-9)13-3-2-5-17(14,15)6-4-13/h8,11H,2-7H2,1H3
InChIKeyUADADNVCQTWOMH-UHFFFAOYSA-N
XLogP0.02
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine 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-methyl-1-[2-(4-methylsulfanylazepan-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114238222
N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
CID 103503007
2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 102886799
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol
CID 102885846
N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114596926
N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 113377755
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 103503049
1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine
CID 84662978
4-(1,1-dioxo-1,4-thiazepan-4-yl)-N-methylpyridin-2-amine
CID 114083844
1-(2-morpholin-4-yl-1,3-oxazol-4-yl)propan-2-one
CID 112713796
2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082683
[3-chloro-6-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]methanamine
CID 114083738

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 114083746) is 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1coc(N2CCCS(=O)(=O)CC2)n1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is UADADNVCQTWOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-11-7-9-8-16-10(12-9)13-3-2-5-17(14,15)6-4-13/h8,11H,2-7H2,1H3.
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 259.33 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 114083746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).