(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine

C9H17N3OS — CID 9170516

IUPAC(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCCSc1nnc([C@@H](N)C(C)C)o1
InChIInChI=1S/C9H17N3OS/c1-4-5-14-9-12-11-8(13-9)7(10)6(2)3/h6-7H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeySMKCLFODDOKWFY-ZETCQYMHSA-N
MW215.32 g/mol
LogP2.23
Rot. Bonds5

About (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine

(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 9170516) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID9170516
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCCSc1nnc([C@@H](N)C(C)C)o1
InChIInChI=1S/C9H17N3OS/c1-4-5-14-9-12-11-8(13-9)7(10)6(2)3/h6-7H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeySMKCLFODDOKWFY-ZETCQYMHSA-N
XLogP2.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 9170516) is (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine is CCCSc1nnc([C@@H](N)C(C)C)o1.
What is the InChIKey of (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is SMKCLFODDOKWFY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-5-14-9-12-11-8(13-9)7(10)6(2)3/h6-7H,4-5,10H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 9170516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).