7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide

C13H17NOS — CID 141340862

IUPAC7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide
SMILESO=S1CCC2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C13H17NOS/c15-16-9-7-13(11-16)6-8-14(10-13)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyGYJUMTIOJPWFBZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.04
Rot. Bonds1

About 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide

7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide (PubChem CID 141340862) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide.

Molecular Properties

Compound Name7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide
PubChem CID141340862
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide
SMILESO=S1CCC2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C13H17NOS/c15-16-9-7-13(11-16)6-8-14(10-13)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyGYJUMTIOJPWFBZ-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
CID 141382872
3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
CID 59367733
4-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204
7-phenyl-4,7-diazaspiro[2.5]octane
CID 146100859
5-[4-(bromomethyl)phenyl]-5-azaspiro[2.4]heptane
CID 131123654
2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde
CID 164923692
7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
CID 143182262
(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
CID 3235151
5-(4-nitrophenyl)-5-azaspiro[2.5]octane
CID 133480921
benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923370
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107321169

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide?
The IUPAC name of 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide (CID 141340862) is 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide.
What is the SMILES notation for 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide?
The canonical SMILES for 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide is O=S1CCC2(CCN(c3ccccc3)C2)C1.
What is the InChIKey of 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide?
The InChIKey is GYJUMTIOJPWFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-16-9-7-13(11-16)6-8-14(10-13)12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide?
7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide has a molecular weight of 235.35 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide is sourced from PubChem (CID 141340862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).