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

C9H15N3O3S — CID 47145538

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1noc(CN(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C9H15N3O3S/c1-7-10-9(15-11-7)5-12(2)8-3-4-16(13,14)6-8/h8H,3-6H2,1-2H3
InChIKeyRYNRXHKWIRNBIH-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.00
Rot. Bonds3

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

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 47145538) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID47145538
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1noc(CN(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C9H15N3O3S/c1-7-10-9(15-11-7)5-12(2)8-3-4-16(13,14)6-8/h8H,3-6H2,1-2H3
InChIKeyRYNRXHKWIRNBIH-UHFFFAOYSA-N
XLogP-0.00
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 36722761
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 79119503
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 91843217
(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
CID 36949347
N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393
(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 51598738
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzonitrile
CID 43410411
(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 99939311
(3R)-N-benzyl-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
CID 94458530
N-[(5-amino-2-methylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 82134181
[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 43046897
(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
CID 51598744

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine (CID 47145538) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine is Cc1noc(CN(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is RYNRXHKWIRNBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-10-9(15-11-7)5-12(2)8-3-4-16(13,14)6-8/h8H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 245.30 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 47145538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).