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

C10H17N3O3S — CID 91843217

IUPACN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCN(Cc1noc(C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O3S/c1-3-13(6-10-11-8(2)16-12-10)9-4-5-17(14,15)7-9/h9H,3-7H2,1-2H3
InChIKeyGAHOZSCIQFDXQD-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.39
Rot. Bonds4

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

N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 91843217) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID91843217
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCN(Cc1noc(C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O3S/c1-3-13(6-10-11-8(2)16-12-10)9-4-5-17(14,15)7-9/h9H,3-7H2,1-2H3
InChIKeyGAHOZSCIQFDXQD-UHFFFAOYSA-N
XLogP0.39
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 63636269
N-ethyl-1,1-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]thiolan-3-amine
CID 131909781
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
CID 47145538
(3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 164634233
(3S)-N-[(4-aminophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 93463712
(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
CID 124752820
(3S)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
CID 124752821
(3R)-N-[(2-chlorophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 129370050
N-ethyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 110651991
(2S)-1-[(4R)-4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-methylsulfanylbutan-1-one
CID 129337516
(3R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 36722761
4-N-(1,1-dioxothiolan-3-yl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80994011

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine (CID 91843217) is N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine is CCN(Cc1noc(C)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is GAHOZSCIQFDXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-3-13(6-10-11-8(2)16-12-10)9-4-5-17(14,15)7-9/h9H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine?
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 259.33 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 91843217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).