4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one

C13H22N2O2S — CID 114155940

IUPAC4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CCOC3(CCSCC3)C2)CN1
InChIInChI=1S/C13H22N2O2S/c16-12-7-11(9-14-12)15-10-1-4-17-13(8-10)2-5-18-6-3-13/h10-11,15H,1-9H2,(H,14,16)
InChIKeyTUCQFBUZEDUVHK-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.91
Rot. Bonds2

About 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one

4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one (PubChem CID 114155940) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
PubChem CID114155940
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CCOC3(CCSCC3)C2)CN1
InChIInChI=1S/C13H22N2O2S/c16-12-7-11(9-14-12)15-10-1-4-17-13(8-10)2-5-18-6-3-13/h10-11,15H,1-9H2,(H,14,16)
InChIKeyTUCQFBUZEDUVHK-UHFFFAOYSA-N
XLogP0.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903238
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79898198
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
N-(2-methyloxolan-3-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82725580
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
CID 79903904
1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
CID 79903697
N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898021
N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904026
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one?
The IUPAC name of 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one (CID 114155940) is 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one is O=C1CC(NC2CCOC3(CCSCC3)C2)CN1.
What is the InChIKey of 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one?
The InChIKey is TUCQFBUZEDUVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c16-12-7-11(9-14-12)15-10-1-4-17-13(8-10)2-5-18-6-3-13/h10-11,15H,1-9H2,(H,14,16).
What are the key properties of 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one?
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one has a molecular weight of 270.40 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 114155940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).