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

C9H17N3OS — CID 94552169

IUPAC(1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCSCc1noc([C@H](N)C(C)(C)C)n1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)7(10)8-11-6(5-14-4)12-13-8/h7H,5,10H2,1-4H3/t7-/m0/s1
InChIKeyQKNTVFJDOIOSBJ-ZETCQYMHSA-N
MW215.32 g/mol
LogP1.98
Rot. Bonds3

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

(1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 94552169) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID94552169
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name(1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCSCc1noc([C@H](N)C(C)(C)C)n1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)7(10)8-11-6(5-14-4)12-13-8/h7H,5,10H2,1-4H3/t7-/m0/s1
InChIKeyQKNTVFJDOIOSBJ-ZETCQYMHSA-N
XLogP1.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65137477
(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93258995
(1S)-2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899376
(1S)-2,2-dimethyl-1-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899383
(1S)-3-methyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880721
3-methyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222613
1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 43470432
(1R)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899466
(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899660
(1S)-1-[3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899541
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540079
(1R)-1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899404

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 94552169) is (1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CSCc1noc([C@H](N)C(C)(C)C)n1.
What is the InChIKey of (1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is QKNTVFJDOIOSBJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2,3)7(10)8-11-6(5-14-4)12-13-8/h7H,5,10H2,1-4H3/t7-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 94552169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).