(3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

C15H27N3O2S — CID 99632890

IUPAC(3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCS[C@H](C)c1noc(CN[C@H]2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C15H27N3O2S/c1-7-21-10(2)13-17-12(19-18-13)9-16-11-8-14(3,4)20-15(11,5)6/h10-11,16H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyANZXKBPIQBPETR-MNOVXSKESA-N
MW313.47 g/mol
LogP3.32
Rot. Bonds6

About (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

(3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 99632890) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID99632890
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name(3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCS[C@H](C)c1noc(CN[C@H]2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C15H27N3O2S/c1-7-21-10(2)13-17-12(19-18-13)9-16-11-8-14(3,4)20-15(11,5)6/h10-11,16H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyANZXKBPIQBPETR-MNOVXSKESA-N
XLogP3.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 99632890) is (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is CCS[C@H](C)c1noc(CN[C@H]2CC(C)(C)OC2(C)C)n1.
What is the InChIKey of (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is ANZXKBPIQBPETR-MNOVXSKESA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-7-21-10(2)13-17-12(19-18-13)9-16-11-8-14(3,4)20-15(11,5)6/h10-11,16H,7-9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 313.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-[(1R)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 99632890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).