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

C10H17N3OS — CID 83201061

IUPACN-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESCCCc1noc(C2CSCC2NC)n1
InChIInChI=1S/C10H17N3OS/c1-3-4-9-12-10(14-13-9)7-5-15-6-8(7)11-2/h7-8,11H,3-6H2,1-2H3
InChIKeyNCNOIZICLYQZSZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.44
Rot. Bonds4

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

N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (PubChem CID 83201061) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
PubChem CID83201061
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESCCCc1noc(C2CSCC2NC)n1
InChIInChI=1S/C10H17N3OS/c1-3-4-9-12-10(14-13-9)7-5-15-6-8(7)11-2/h7-8,11H,3-6H2,1-2H3
InChIKeyNCNOIZICLYQZSZ-UHFFFAOYSA-N
XLogP1.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83200736
4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83201558
N-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200492
4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200418
4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83200820
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
CID 83201312
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200903
4-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83192305
4-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83201394
4-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83192311
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200497
4-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83191941

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The IUPAC name of N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (CID 83201061) is N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.
What is the SMILES notation for N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The canonical SMILES for N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is CCCc1noc(C2CSCC2NC)n1.
What is the InChIKey of N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The InChIKey is NCNOIZICLYQZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-4-9-12-10(14-13-9)7-5-15-6-8(7)11-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine has a molecular weight of 227.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is sourced from PubChem (CID 83201061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).