dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium

C19H33N4O2S+ — CID 11880724

IUPACdimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium
SMILESCC[C@H](c1nnc(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)o1)[NH+](C)C
InChIInChI=1S/C19H32N4O2S/c1-7-14(22(5)6)16-20-21-17(25-16)26-10-15(24)23-12-19(4)9-13(23)8-18(2,3)11-19/h13-14H,7-12H2,1-6H3/p+1/t13-,14+,19-/m0/s1
InChIKeyQPNNAJXHRJFNLG-KSMMKXTCSA-O
MW381.57 g/mol
LogP2.18
Rot. Bonds6

About dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium

dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium (PubChem CID 11880724) has the molecular formula C19H33N4O2S+ and a molecular weight of 381.57 g/mol. Its IUPAC name is dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium
PubChem CID11880724
Molecular FormulaC19H33N4O2S+
Molecular Weight381.57 g/mol
Exact Mass381.23
IUPAC Namedimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium
SMILESCC[C@H](c1nnc(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)o1)[NH+](C)C
InChIInChI=1S/C19H32N4O2S/c1-7-14(22(5)6)16-20-21-17(25-16)26-10-15(24)23-12-19(4)9-13(23)8-18(2,3)11-19/h13-14H,7-12H2,1-6H3/p+1/t13-,14+,19-/m0/s1
InChIKeyQPNNAJXHRJFNLG-KSMMKXTCSA-O
XLogP2.18
TPSA63.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium?
The IUPAC name of dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium (CID 11880724) is dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium.
What is the SMILES notation for dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium?
The canonical SMILES for dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium is CC[C@H](c1nnc(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)o1)[NH+](C)C.
What is the InChIKey of dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium?
The InChIKey is QPNNAJXHRJFNLG-KSMMKXTCSA-O. The full InChI is InChI=1S/C19H32N4O2S/c1-7-14(22(5)6)16-20-21-17(25-16)26-10-15(24)23-12-19(4)9-13(23)8-18(2,3)11-19/h13-14H,7-12H2,1-6H3/p+1/t13-,14+,19-/m0/s1.
What are the key properties of dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium?
dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium has a molecular weight of 381.57 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1R)-1-[5-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium is sourced from PubChem (CID 11880724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).