spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione

C11H17NOS — CID 14709373

IUPACspiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione
SMILESS=C1NC2(CCCC2)C2CCCC2O1
InChIInChI=1S/C11H17NOS/c14-10-12-11(6-1-2-7-11)8-4-3-5-9(8)13-10/h8-9H,1-7H2,(H,12,14)
InChIKeyMMNBZBLNQXOIRO-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.37
Rot. Bonds

About spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione

spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione (PubChem CID 14709373) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione.

Molecular Properties

Compound Namespiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione
PubChem CID14709373
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Namespiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione
SMILESS=C1NC2(CCCC2)C2CCCC2O1
InChIInChI=1S/C11H17NOS/c14-10-12-11(6-1-2-7-11)8-4-3-5-9(8)13-10/h8-9H,1-7H2,(H,12,14)
InChIKeyMMNBZBLNQXOIRO-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione 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

(4aR,8aR)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-4,1'-cyclohexane]-2-thione
CID 821408
(4aR,7aS)-spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-2,1'-cyclohexane]-4-one
CID 12581843
(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
4-propan-2-yl-2-sulfanylidene-4,4a,5,6,7,8-hexahydro-3H-benzo[e][1,3]oxazine-8a-carbonitrile
CID 5369107
(1S,6R,7S)-13-oxatricyclo[5.4.2.01,6]tridecane-5,12-dione
CID 146166125
4-cyclobutyl-3-methyl-1-azaspiro[4.5]decan-2-one
CID 165467518
1-oxa-3-azaspiro[4.5]decane-2-thione
CID 10236033
spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one
CID 130992733
4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one
CID 101445172
(1R,9R,10S)-2-oxa-14,16-diazatetracyclo[7.4.3.01,10.03,8]hexadeca-3,5,7-triene-15-thione
CID 100822502
1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane
CID 155682588
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750

Frequently Asked Questions

What is the IUPAC name of spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione?
The IUPAC name of spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione (CID 14709373) is spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione.
What is the SMILES notation for spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione?
The canonical SMILES for spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione is S=C1NC2(CCCC2)C2CCCC2O1.
What is the InChIKey of spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione?
The InChIKey is MMNBZBLNQXOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c14-10-12-11(6-1-2-7-11)8-4-3-5-9(8)13-10/h8-9H,1-7H2,(H,12,14).
What are the key properties of spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione?
spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione has a molecular weight of 211.33 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazine-4,1'-cyclopentane]-2-thione is sourced from PubChem (CID 14709373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).