7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane

C8H15NS — CID 159956613

IUPAC7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane
SMILESC=S1CCC2(CC1)CNC2
InChIInChI=1S/C8H15NS/c1-10-4-2-8(3-5-10)6-9-7-8/h9H,1-7H2
InChIKeyPKAPWMVZNXCMCB-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.07
Rot. Bonds

About 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane

7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane (PubChem CID 159956613) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane
PubChem CID159956613
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane
SMILESC=S1CCC2(CC1)CNC2
InChIInChI=1S/C8H15NS/c1-10-4-2-8(3-5-10)6-9-7-8/h9H,1-7H2
InChIKeyPKAPWMVZNXCMCB-UHFFFAOYSA-N
XLogP1.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane 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

7-Thia-2-azaspiro[3.5]nonane hydrochloride
CID 137965718
7-Thia-2-azaspiro[3.5]nonane
CID 72207688
6-Thia-2-azaspiro[3.5]nonane
CID 84648902
7lambda4-Thia-2-azaspiro[3.5]nonane 7-oxide
CID 118185530
Ethane;7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145675244
N-methyl-1-(4-methylthian-4-yl)methanamine
CID 166976391
3-Ethyl-3-(2-methylsulfanylethyl)azetidine
CID 116108577
3-Ethyl-3-(2-ethylsulfanylethyl)azetidine
CID 116108578
7-Methylidene-7lambda6-thia-2-azaspiro[3.5]nonane 7-oxide
CID 157263117

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane?
The IUPAC name of 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane (CID 159956613) is 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane is C=S1CCC2(CC1)CNC2.
What is the InChIKey of 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane?
The InChIKey is PKAPWMVZNXCMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-10-4-2-8(3-5-10)6-9-7-8/h9H,1-7H2.
What are the key properties of 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane?
7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane has a molecular weight of 157.28 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-7λ4-thia-2-azaspiro[3.5]nonane is sourced from PubChem (CID 159956613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).