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

C9H17N3OS — CID 66218376

IUPAC2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
SMILESCCCc1noc(CSC(C)CN)n1
InChIInChI=1S/C9H17N3OS/c1-3-4-8-11-9(13-12-8)6-14-7(2)5-10/h7H,3-6,10H2,1-2H3
InChIKeyKTUHTIPURVBLKP-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.60
Rot. Bonds6

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

2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine (PubChem CID 66218376) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
PubChem CID66218376
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
SMILESCCCc1noc(CSC(C)CN)n1
InChIInChI=1S/C9H17N3OS/c1-3-4-8-11-9(13-12-8)6-14-7(2)5-10/h7H,3-6,10H2,1-2H3
InChIKeyKTUHTIPURVBLKP-UHFFFAOYSA-N
XLogP1.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]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

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
CID 66216894
(2S)-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpentan-1-amine
CID 104916154
6-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65137052
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propan-1-amine
CID 66218111
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propan-1-amine
CID 66217382
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43249039
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
CID 66228488
3-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]butan-1-amine
CID 66229523
(2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 61142370

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine (CID 66218376) is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine is CCCc1noc(CSC(C)CN)n1.
What is the InChIKey of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine?
The InChIKey is KTUHTIPURVBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-4-8-11-9(13-12-8)6-14-7(2)5-10/h7H,3-6,10H2,1-2H3.
What are the key properties of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine?
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66218376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).