8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide

C13H23NOS — CID 168907021

IUPAC8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
SMILESO=S1CC2(CCCN(C3CCCCC3)C2)C1
InChIInChI=1S/C13H23NOS/c15-16-10-13(11-16)7-4-8-14(9-13)12-5-2-1-3-6-12/h12H,1-11H2
InChIKeyLFGMTJCBZHOWCQ-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.16
Rot. Bonds1

About 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide

8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide (PubChem CID 168907021) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide.

Molecular Properties

Compound Name8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
PubChem CID168907021
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
SMILESO=S1CC2(CCCN(C3CCCCC3)C2)C1
InChIInChI=1S/C13H23NOS/c15-16-10-13(11-16)7-4-8-14(9-13)12-5-2-1-3-6-12/h12H,1-11H2
InChIKeyLFGMTJCBZHOWCQ-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 168906730
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CID 117011831
1-cyclohexylazocane
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1-cyclooctylpiperidine
CID 89210756
1-cyclohexyl-3,3-difluoropyrrolidine
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CID 82476519
5-piperidin-4-yl-5-azaspiro[2.5]octane;dihydrochloride
CID 156735083
7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907014
1-cycloheptyl-3,3-dimethyl-1,4-diazepane
CID 64944315
1-cyclohexylpiperidine;methane
CID 143122486
(3-amino-1-cyclopentylpiperidin-3-yl)methanol
CID 115021565

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide?
The IUPAC name of 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide (CID 168907021) is 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide.
What is the SMILES notation for 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide?
The canonical SMILES for 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide is O=S1CC2(CCCN(C3CCCCC3)C2)C1.
What is the InChIKey of 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide?
The InChIKey is LFGMTJCBZHOWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c15-16-10-13(11-16)7-4-8-14(9-13)12-5-2-1-3-6-12/h12H,1-11H2.
What are the key properties of 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide?
8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide has a molecular weight of 241.40 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide is sourced from PubChem (CID 168907021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).