1,3-dithia-9-azaspiro[5.5]undecane

C8H15NS2 — CID 134716129

IUPAC1,3-dithia-9-azaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCSCS2
InChIInChI=1S/C8H15NS2/c1-4-9-5-2-8(1)3-6-10-7-11-8/h9H,1-7H2
InChIKeyLEDJVEPGNDGPFY-UHFFFAOYSA-N
MW189.35 g/mol
LogP1.94
Rot. Bonds

About 1,3-dithia-9-azaspiro[5.5]undecane

1,3-dithia-9-azaspiro[5.5]undecane (PubChem CID 134716129) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is 1,3-dithia-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name1,3-dithia-9-azaspiro[5.5]undecane
PubChem CID134716129
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name1,3-dithia-9-azaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCSCS2
InChIInChI=1S/C8H15NS2/c1-4-9-5-2-8(1)3-6-10-7-11-8/h9H,1-7H2
InChIKeyLEDJVEPGNDGPFY-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thia-7-azaspiro[3.5]nonane
CID 118209775
1,4-dithia-8-azaspiro[4.5]decane;hydrochloride
CID 12954121
1-thia-4,8-diazaspiro[4.5]decane
CID 22467178
4,4-difluoropiperidine;methane
CID 143607085
ethane;1-thia-4,8-diazaspiro[4.5]decane
CID 143985380
(5R)-2-thia-7-azaspiro[4.4]nonane
CID 94411770
4-thia-7-azaspiro[2.5]octane
CID 22417199
2-thia-9-azaspiro[5.5]undecane;hydrochloride
CID 122236526
6-thia-9-azaspiro[3.7]undecane
CID 118210068
8-thia-3,11-diazaspiro[5.6]dodecane
CID 23135364
thiomorpholine;trihydrochloride
CID 141375398
sulfane;thiomorpholine
CID 66634085

Frequently Asked Questions

What is the IUPAC name of 1,3-dithia-9-azaspiro[5.5]undecane?
The IUPAC name of 1,3-dithia-9-azaspiro[5.5]undecane (CID 134716129) is 1,3-dithia-9-azaspiro[5.5]undecane.
What is the SMILES notation for 1,3-dithia-9-azaspiro[5.5]undecane?
The canonical SMILES for 1,3-dithia-9-azaspiro[5.5]undecane is C1CC2(CCN1)CCSCS2.
What is the InChIKey of 1,3-dithia-9-azaspiro[5.5]undecane?
The InChIKey is LEDJVEPGNDGPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-4-9-5-2-8(1)3-6-10-7-11-8/h9H,1-7H2.
What are the key properties of 1,3-dithia-9-azaspiro[5.5]undecane?
1,3-dithia-9-azaspiro[5.5]undecane has a molecular weight of 189.35 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithia-9-azaspiro[5.5]undecane is sourced from PubChem (CID 134716129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).