(7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate

C12H18N2O4S — CID 121002233

IUPAC(7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate
SMILESCC(=O)OC1CCC12NNC1(CCC1OC(C)=O)S2
InChIInChI=1S/C12H18N2O4S/c1-7(15)17-9-3-5-11(9)13-14-12(19-11)6-4-10(12)18-8(2)16/h9-10,13-14H,3-6H2,1-2H3
InChIKeyMUIXOLXIZWYSGT-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.67
Rot. Bonds2

About (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate

(7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate (PubChem CID 121002233) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate.

Molecular Properties

Compound Name(7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate
PubChem CID121002233
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate
SMILESCC(=O)OC1CCC12NNC1(CCC1OC(C)=O)S2
InChIInChI=1S/C12H18N2O4S/c1-7(15)17-9-3-5-11(9)13-14-12(19-11)6-4-10(12)18-8(2)16/h9-10,13-14H,3-6H2,1-2H3
InChIKeyMUIXOLXIZWYSGT-UHFFFAOYSA-N
XLogP0.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,4-diaminocyclohexyl) acetate
CID 174708289
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 66836214
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 6950273
[(3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate
CID 21116837
(3a,7,7-trimethyl-4,5,6,7a-tetrahydrobenzotrioxol-4-yl) acetate
CID 10799464
(2,2-dimethyloxan-3-yl) acetate
CID 155712609
acetic acid;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 118982093
ethene;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 134330267
[(1S,2S,4R)-1-methyl-6-oxo-2-bicyclo[2.2.2]octanyl] acetate
CID 11298521
[(3S,4S)-4-hydroxy-1,4-dimethylpiperidin-3-yl] acetate
CID 102445283
(1,2,2-trimethylpiperidin-4-yl) acetate
CID 163597402
(3-cyclopentyl-2,2-dimethylcyclopentyl) acetate
CID 11521441

Frequently Asked Questions

What is the IUPAC name of (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate?
The IUPAC name of (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate (CID 121002233) is (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate.
What is the SMILES notation for (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate?
The canonical SMILES for (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate is CC(=O)OC1CCC12NNC1(CCC1OC(C)=O)S2.
What is the InChIKey of (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate?
The InChIKey is MUIXOLXIZWYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-7(15)17-9-3-5-11(9)13-14-12(19-11)6-4-10(12)18-8(2)16/h9-10,13-14H,3-6H2,1-2H3.
What are the key properties of (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate?
(7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate has a molecular weight of 286.35 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-acetyloxy-5-thia-10,11-diazadispiro[3.1.36.24]undecan-3-yl) acetate is sourced from PubChem (CID 121002233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).