1-thia-4-azaspiro[4.5]decane

C8H15NS — CID 14155910

IUPAC1-thia-4-azaspiro[4.5]decane
SMILESC1CCC2(CC1)NCCS2
InChIInChI=1S/C8H15NS/c1-2-4-8(5-3-1)9-6-7-10-8/h9H,1-7H2
InChIKeyDEFXLTDEFZBBPO-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.98
Rot. Bonds

About 1-thia-4-azaspiro[4.5]decane

1-thia-4-azaspiro[4.5]decane (PubChem CID 14155910) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-thia-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name1-thia-4-azaspiro[4.5]decane
PubChem CID14155910
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-thia-4-azaspiro[4.5]decane
SMILESC1CCC2(CC1)NCCS2
InChIInChI=1S/C8H15NS/c1-2-4-8(5-3-1)9-6-7-10-8/h9H,1-7H2
InChIKeyDEFXLTDEFZBBPO-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-thia-4-azaspiro[4.7]dodecane
CID 66525255
1-thia-4-azaspiro[4.4]nonane
CID 50853175
1-thia-4,8-diazaspiro[4.5]decane
CID 22467178
8-oxa-1-thia-4-azaspiro[4.5]decane
CID 50853196
ethane;1-thia-4,8-diazaspiro[4.5]decane
CID 143985380
9-iodo-1-thia-5,9-diazaspiro[5.5]undecane
CID 134389589
spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]
CID 50853147
2-ethoxy-5-thia-8-azaspiro[3.4]octane
CID 106824053
2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one
CID 169318479
7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane
CID 130645894
2,2-dimethylazocane
CID 123664425
4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane
CID 164646754

Frequently Asked Questions

What is the IUPAC name of 1-thia-4-azaspiro[4.5]decane?
The IUPAC name of 1-thia-4-azaspiro[4.5]decane (CID 14155910) is 1-thia-4-azaspiro[4.5]decane.
What is the SMILES notation for 1-thia-4-azaspiro[4.5]decane?
The canonical SMILES for 1-thia-4-azaspiro[4.5]decane is C1CCC2(CC1)NCCS2.
What is the InChIKey of 1-thia-4-azaspiro[4.5]decane?
The InChIKey is DEFXLTDEFZBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-4-8(5-3-1)9-6-7-10-8/h9H,1-7H2.
What are the key properties of 1-thia-4-azaspiro[4.5]decane?
1-thia-4-azaspiro[4.5]decane has a molecular weight of 157.28 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-4-azaspiro[4.5]decane is sourced from PubChem (CID 14155910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).