2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine

C13H23N3O3S — CID 102886799

IUPAC2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1coc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C13H23N3O3S/c1-10(2)6-14-7-12-8-19-13(15-12)16-4-5-20(17,18)9-11(16)3/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyKAVCWFALFKGXSG-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.04
Rot. Bonds5

About 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 102886799) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID102886799
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1coc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C13H23N3O3S/c1-10(2)6-14-7-12-8-19-13(15-12)16-4-5-20(17,18)9-11(16)3/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyKAVCWFALFKGXSG-UHFFFAOYSA-N
XLogP1.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol
CID 102885846
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
CID 102886676
N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106965922
1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 114083746
N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106965925
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 102886778
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine
CID 102884804
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819
N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965924
4-(5-iodopyrimidin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 104843890
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
CID 103503007

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 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) is 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1coc(N2CCS(=O)(=O)CC2C)n1.
What is the InChIKey of 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is KAVCWFALFKGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10(2)6-14-7-12-8-19-13(15-12)16-4-5-20(17,18)9-11(16)3/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 301.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 102886799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).