1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one

C12H19N3O2S — CID 136730472

IUPAC1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one
SMILESCN1CCC(/N=C2/NC3(CCOCC3)CS2)C1=O
InChIInChI=1S/C12H19N3O2S/c1-15-5-2-9(10(15)16)13-11-14-12(8-18-11)3-6-17-7-4-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeySEBXHHMTGKZRJQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.46
Rot. Bonds1

About 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one

1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one (PubChem CID 136730472) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one
PubChem CID136730472
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one
SMILESCN1CCC(/N=C2/NC3(CCOCC3)CS2)C1=O
InChIInChI=1S/C12H19N3O2S/c1-15-5-2-9(10(15)16)13-11-14-12(8-18-11)3-6-17-7-4-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeySEBXHHMTGKZRJQ-UHFFFAOYSA-N
XLogP0.46
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylpyrrolidin-3-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819544
N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819501
N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819626
N-[(1-methylpyrrolidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819525
N-[(1-methylpiperidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819605
N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819509
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003287
1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one
CID 136864241
N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730395
N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819447
2-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)-1-pyrrolidin-1-ylethanone
CID 136730323
N-(1-cyclopropylbutan-2-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819704

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one (CID 136730472) is 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one is CN1CCC(/N=C2/NC3(CCOCC3)CS2)C1=O.
What is the InChIKey of 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one?
The InChIKey is SEBXHHMTGKZRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-15-5-2-9(10(15)16)13-11-14-12(8-18-11)3-6-17-7-4-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one?
1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one has a molecular weight of 269.37 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one is sourced from PubChem (CID 136730472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).