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

C9H17N3OS — CID 933830

IUPAC(1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCC(C)Sc1nnc([C@@H](N)C(C)C)o1
InChIInChI=1S/C9H17N3OS/c1-5(2)7(10)8-11-12-9(13-8)14-6(3)4/h5-7H,10H2,1-4H3/t7-/m0/s1
InChIKeyDLHPCAPHTFFDLD-ZETCQYMHSA-N
MW215.32 g/mol
LogP2.23
Rot. Bonds4

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

(1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 933830) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is (1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID933830
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name(1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCC(C)Sc1nnc([C@@H](N)C(C)C)o1
InChIInChI=1S/C9H17N3OS/c1-5(2)7(10)8-11-12-9(13-8)14-6(3)4/h5-7H,10H2,1-4H3/t7-/m0/s1
InChIKeyDLHPCAPHTFFDLD-ZETCQYMHSA-N
XLogP2.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

(S)-2-((5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-diethylacetamide hydrochloride
CID 16682472
(1S)-1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-3-methylbutan-1-amine
CID 936166
2-({5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 936397
ethyl ({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
CID 1955952
ethyl 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 1975862
Ethyl {[5-(1-amino-3-methylbutyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
CID 4972563
ethyl 2-[[5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 17577190
2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-dimethylacetamide
CID 938432
2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-diethylacetamide
CID 937320
2-({5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 1401237
2-[5-((1S)-1-amino-3-methylbutyl)-1,3,4-oxadiazol-2-ylthio]acetamide, chloride
CID 20982716
(S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-3-methylbutan-1-amine hydrochloride
CID 52994547

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 933830) is (1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine is CC(C)Sc1nnc([C@@H](N)C(C)C)o1.
What is the InChIKey of (1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is DLHPCAPHTFFDLD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-5(2)7(10)8-11-12-9(13-8)14-6(3)4/h5-7H,10H2,1-4H3/t7-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
(1S)-2-methyl-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 2.23, 4 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-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 933830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).