(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine

C6H11N3OS — CID 104889207

IUPAC(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1nnc(SC[C@H](C)N)o1
InChIInChI=1S/C6H11N3OS/c1-4(7)3-11-6-9-8-5(2)10-6/h4H,3,7H2,1-2H3/t4-/m0/s1
InChIKeyRFCQRWWAROWFDW-BYPYZUCNSA-N
MW173.24 g/mol
LogP0.82
Rot. Bonds3

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

(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 104889207) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is (2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
PubChem CID104889207
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1nnc(SC[C@H](C)N)o1
InChIInChI=1S/C6H11N3OS/c1-4(7)3-11-6-9-8-5(2)10-6/h4H,3,7H2,1-2H3/t4-/m0/s1
InChIKeyRFCQRWWAROWFDW-BYPYZUCNSA-N
XLogP0.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide
CID 76937871
2-(2,2-dimethoxyethylsulfanyl)-5-methyl-1,3,4-oxadiazole
CID 66221730
methyl 2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 62255417
2-(2-bromo-3,3,3-trifluoropropyl)sulfanyl-5-methyl-1,3,4-oxadiazole
CID 64757134
ethyl 3-hydroxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
CID 82775944
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide
CID 55144942
2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 63033819
1-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 64633293
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 64633892
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
CID 55240847
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 62254897
methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate
CID 63033462

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of (2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine (CID 104889207) is (2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for (2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine is Cc1nnc(SC[C@H](C)N)o1.
What is the InChIKey of (2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is RFCQRWWAROWFDW-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4(7)3-11-6-9-8-5(2)10-6/h4H,3,7H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 173.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 104889207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).