N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine

C11H18N4OS — CID 116809129

IUPACN-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESCNC1CSCC1c1nc(N2CCCC2)no1
InChIInChI=1S/C11H18N4OS/c1-12-9-7-17-6-8(9)10-13-11(14-16-10)15-4-2-3-5-15/h8-9,12H,2-7H2,1H3
InChIKeyHIYGPQXUNYXVHY-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.09
Rot. Bonds3

About N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine

N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (PubChem CID 116809129) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
PubChem CID116809129
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESCNC1CSCC1c1nc(N2CCCC2)no1
InChIInChI=1S/C11H18N4OS/c1-12-9-7-17-6-8(9)10-13-11(14-16-10)15-4-2-3-5-15/h8-9,12H,2-7H2,1H3
InChIKeyHIYGPQXUNYXVHY-UHFFFAOYSA-N
XLogP1.09
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 116809201
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
CID 83201312
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83201061
4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83201558
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 104612006
N-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200574
4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83200736
N-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201490
N-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200492
4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
CID 116807168
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 116809369

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The IUPAC name of N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (CID 116809129) is N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.
What is the SMILES notation for N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The canonical SMILES for N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is CNC1CSCC1c1nc(N2CCCC2)no1.
What is the InChIKey of N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The InChIKey is HIYGPQXUNYXVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-12-9-7-17-6-8(9)10-13-11(14-16-10)15-4-2-3-5-15/h8-9,12H,2-7H2,1H3.
What are the key properties of N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine has a molecular weight of 254.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is sourced from PubChem (CID 116809129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).