5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one

C13H22N2O2S — CID 79903904

IUPAC5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNC2CCOC3(CCSC3)C2)N1
InChIInChI=1S/C13H22N2O2S/c16-12-2-1-11(15-12)8-14-10-3-5-17-13(7-10)4-6-18-9-13/h10-11,14H,1-9H2,(H,15,16)
InChIKeyQBIJJGVDTLILMW-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.91
Rot. Bonds3

About 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one

5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one (PubChem CID 79903904) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
PubChem CID79903904
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNC2CCOC3(CCSC3)C2)N1
InChIInChI=1S/C13H22N2O2S/c16-12-2-1-11(15-12)8-14-10-3-5-17-13(7-10)4-6-18-9-13/h10-11,14H,1-9H2,(H,15,16)
InChIKeyQBIJJGVDTLILMW-UHFFFAOYSA-N
XLogP0.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902634
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
(5S,9S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 129429099
[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol
CID 106297981
(5S,9S)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 124890554
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897871
2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
CID 106176597
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
CID 79903697
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216

Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one (CID 79903904) is 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one is O=C1CCC(CNC2CCOC3(CCSC3)C2)N1.
What is the InChIKey of 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is QBIJJGVDTLILMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c16-12-2-1-11(15-12)8-14-10-3-5-17-13(7-10)4-6-18-9-13/h10-11,14H,1-9H2,(H,15,16).
What are the key properties of 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one?
5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 270.40 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 79903904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).