N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine

C11H20N4O3S — CID 106969373

IUPACN-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NC2CCS(=O)(=O)CC2)o1
InChIInChI=1S/C11H20N4O3S/c1-3-12-8(2)10-14-15-11(18-10)13-9-4-6-19(16,17)7-5-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeySBSJAWKJEOBLCL-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.73
Rot. Bonds5

About N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106969373) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106969373
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NC2CCS(=O)(=O)CC2)o1
InChIInChI=1S/C11H20N4O3S/c1-3-12-8(2)10-14-15-11(18-10)13-9-4-6-19(16,17)7-5-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeySBSJAWKJEOBLCL-UHFFFAOYSA-N
XLogP0.73
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(ethylamino)ethyl]-N-(4-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106970199
5-[1-(ethylamino)ethyl]-N-(2-propan-2-ylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106963967
N-(1-cyclohexylethyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960760
5-[1-(ethylamino)ethyl]-N-[(4-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960955
5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961976
N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966108
5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971003
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106959375
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
3-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167811
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959992
N,N-diethyl-2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964475

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106969373) is N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(NC2CCS(=O)(=O)CC2)o1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SBSJAWKJEOBLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-12-8(2)10-14-15-11(18-10)13-9-4-6-19(16,17)7-5-9/h8-9,12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 288.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).