(1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C10H17N3O2S2 — CID 104909541

IUPAC(1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCSCC[C@@H](N)c1nc(C2CSCCO2)no1
InChIInChI=1S/C10H17N3O2S2/c1-16-4-2-7(11)10-12-9(13-15-10)8-6-17-5-3-14-8/h7-8H,2-6,11H2,1H3/t7-,8?/m1/s1
InChIKeyPHYSIAXCZNWZKT-GVHYBUMESA-N
MW275.40 g/mol
LogP1.63
Rot. Bonds5

About (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

(1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104909541) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104909541
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name(1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCSCC[C@@H](N)c1nc(C2CSCCO2)no1
InChIInChI=1S/C10H17N3O2S2/c1-16-4-2-7(11)10-12-9(13-15-10)8-6-17-5-3-14-8/h7-8H,2-6,11H2,1H3/t7-,8?/m1/s1
InChIKeyPHYSIAXCZNWZKT-GVHYBUMESA-N
XLogP1.63
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565460
1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79962698
(1R)-3-methylsulfanyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909472
4-methoxy-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81083853
(1R)-1-[3-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 106600436
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 65402446
N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 79970419
ethyl 2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79965528
4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79968839
(1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909531
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79962025
3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79962782

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104909541) is (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CSCC[C@@H](N)c1nc(C2CSCCO2)no1.
What is the InChIKey of (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is PHYSIAXCZNWZKT-GVHYBUMESA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-16-4-2-7(11)10-12-9(13-15-10)8-6-17-5-3-14-8/h7-8H,2-6,11H2,1H3/t7-,8?/m1/s1.
What are the key properties of (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104909541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).