8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C14H18N2O2S — CID 52943553

IUPAC8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CSC2(CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C14H18N2O2S/c17-13(18)12-10-19-14(15-12)6-8-16(9-7-14)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18)
InChIKeyHOCYOFKMVYPCGI-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.77
Rot. Bonds2

About 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid

8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 52943553) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID52943553
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CSC2(CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C14H18N2O2S/c17-13(18)12-10-19-14(15-12)6-8-16(9-7-14)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18)
InChIKeyHOCYOFKMVYPCGI-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 52943553) is 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CSC2(CCN(c3ccccc3)CC2)N1.
What is the InChIKey of 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is HOCYOFKMVYPCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13(18)12-10-19-14(15-12)6-8-16(9-7-14)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18).
What are the key properties of 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 278.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 52943553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).