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

C11H18N4O3S — CID 106965924

IUPACN-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCC1CS(=O)(=O)CCN1c1nnc(CNC2CC2)o1
InChIInChI=1S/C11H18N4O3S/c1-8-7-19(16,17)5-4-15(8)11-14-13-10(18-11)6-12-9-2-3-9/h8-9,12H,2-7H2,1H3
InChIKeyLNQGUHSKXWUDHR-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.06
Rot. Bonds4

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

N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 106965924) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID106965924
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCC1CS(=O)(=O)CCN1c1nnc(CNC2CC2)o1
InChIInChI=1S/C11H18N4O3S/c1-8-7-19(16,17)5-4-15(8)11-14-13-10(18-11)6-12-9-2-3-9/h8-9,12H,2-7H2,1H3
InChIKeyLNQGUHSKXWUDHR-UHFFFAOYSA-N
XLogP-0.06
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106965925
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965446
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 106959892
N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 102886795
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965695
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106969451
N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106960974
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 106967817
N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669
5-[(cyclopropylamino)methyl]-N-(1,1-dioxothian-3-yl)-1,3,4-oxadiazol-2-amine
CID 106961478
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106967395

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 106965924) is N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is CC1CS(=O)(=O)CCN1c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is LNQGUHSKXWUDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-7-19(16,17)5-4-15(8)11-14-13-10(18-11)6-12-9-2-3-9/h8-9,12H,2-7H2,1H3.
What are the key properties of N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 286.36 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106965924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).