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

C9H15N3OS — CID 66216894

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
SMILESCC(CN)SCc1nc(C2CC2)no1
InChIInChI=1S/C9H15N3OS/c1-6(4-10)14-5-8-11-9(12-13-8)7-2-3-7/h6-7H,2-5,10H2,1H3
InChIKeyQLORDGNMUYSFRJ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.53
Rot. Bonds5

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

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine (PubChem CID 66216894) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
PubChem CID66216894
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
SMILESCC(CN)SCc1nc(C2CC2)no1
InChIInChI=1S/C9H15N3OS/c1-6(4-10)14-5-8-11-9(12-13-8)7-2-3-7/h6-7H,2-5,10H2,1H3
InChIKeyQLORDGNMUYSFRJ-UHFFFAOYSA-N
XLogP1.53
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
CID 66218376
2-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072757
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072758
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propan-1-amine
CID 66218111
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate
CID 65211838
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202626
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine (CID 66216894) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine is CC(CN)SCc1nc(C2CC2)no1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine?
The InChIKey is QLORDGNMUYSFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(4-10)14-5-8-11-9(12-13-8)7-2-3-7/h6-7H,2-5,10H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine has a molecular weight of 213.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66216894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).