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

C10H18N4O3S — CID 106965925

IUPACN-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(N2CCS(=O)(=O)CC2C)o1
InChIInChI=1S/C10H18N4O3S/c1-7-6-18(15,16)5-4-14(7)10-13-12-9(17-10)8(2)11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyDIAZKDNEDCYZHM-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.03
Rot. Bonds3

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

N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106965925) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106965925
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(N2CCS(=O)(=O)CC2C)o1
InChIInChI=1S/C10H18N4O3S/c1-7-6-18(15,16)5-4-14(7)10-13-12-9(17-10)8(2)11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyDIAZKDNEDCYZHM-UHFFFAOYSA-N
XLogP-0.03
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106965922
N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965924
N-methyl-1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
CID 106970901
1-[3-bromo-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylethanamine
CID 102883963
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-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine
CID 102883931
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 102888057
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
4-(5-iodopyrimidin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 104843890
(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 102883966
1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106971050

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106965925) is N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(N2CCS(=O)(=O)CC2C)o1.
What is the InChIKey of N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is DIAZKDNEDCYZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-6-18(15,16)5-4-14(7)10-13-12-9(17-10)8(2)11-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 274.35 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106965925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).