6-thia-10-azadispiro[3.0.55.34]tridecane

C11H19NS — CID 130834939

IUPAC6-thia-10-azadispiro[3.0.55.34]tridecane
SMILESC1CNC2(CCCC23CCC3)SC1
InChIInChI=1S/C11H19NS/c1-4-10(5-1)6-2-7-11(10)12-8-3-9-13-11/h12H,1-9H2
InChIKeyZGKCYLFRLRKNQZ-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.76
Rot. Bonds

About 6-thia-10-azadispiro[3.0.55.34]tridecane

6-thia-10-azadispiro[3.0.55.34]tridecane (PubChem CID 130834939) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 6-thia-10-azadispiro[3.0.55.34]tridecane.

Molecular Properties

Compound Name6-thia-10-azadispiro[3.0.55.34]tridecane
PubChem CID130834939
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name6-thia-10-azadispiro[3.0.55.34]tridecane
SMILESC1CNC2(CCCC23CCC3)SC1
InChIInChI=1S/C11H19NS/c1-4-10(5-1)6-2-7-11(10)12-8-3-9-13-11/h12H,1-9H2
InChIKeyZGKCYLFRLRKNQZ-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-thia-6-azaspiro[4.6]undecane
CID 118209599
9-iodo-1-thia-5,9-diazaspiro[5.5]undecane
CID 134389589
3,7-dithiatricyclo[3.3.3.01,5]undecane
CID 5260060
8-thia-5-azaspiro[3.5]nonane
CID 118210271
7-azadispiro[3.0.45.34]dodecane
CID 83905512
2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
CID 114834360
1-thia-4-azaspiro[4.4]nonane
CID 50853175
3-azadispiro[3.0.55.34]tridecane
CID 130646295
9-thia-1-azaspiro[4.5]decane;hydrochloride
CID 126844154
sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate
CID 23701870
fluoroboronic acid;bis(2-methyl-2-methylsulfanyl-1,3-thiazinane)
CID 173456378
1-thia-4-azaspiro[4.7]dodecane
CID 66525255

Frequently Asked Questions

What is the IUPAC name of 6-thia-10-azadispiro[3.0.55.34]tridecane?
The IUPAC name of 6-thia-10-azadispiro[3.0.55.34]tridecane (CID 130834939) is 6-thia-10-azadispiro[3.0.55.34]tridecane.
What is the SMILES notation for 6-thia-10-azadispiro[3.0.55.34]tridecane?
The canonical SMILES for 6-thia-10-azadispiro[3.0.55.34]tridecane is C1CNC2(CCCC23CCC3)SC1.
What is the InChIKey of 6-thia-10-azadispiro[3.0.55.34]tridecane?
The InChIKey is ZGKCYLFRLRKNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-10(5-1)6-2-7-11(10)12-8-3-9-13-11/h12H,1-9H2.
What are the key properties of 6-thia-10-azadispiro[3.0.55.34]tridecane?
6-thia-10-azadispiro[3.0.55.34]tridecane has a molecular weight of 197.35 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thia-10-azadispiro[3.0.55.34]tridecane is sourced from PubChem (CID 130834939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).