1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one

C18H25NOS — CID 107029334

IUPAC1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
SMILESO=C(C(S)Cc1ccccc1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H25NOS/c20-17(16(21)14-15-6-2-1-3-7-15)19-12-10-18(11-13-19)8-4-5-9-18/h1-3,6-7,16,21H,4-5,8-14H2
InChIKeyUOZQQFAEXFESJU-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.71
Rot. Bonds3

About 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one

1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one (PubChem CID 107029334) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
PubChem CID107029334
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
SMILESO=C(C(S)Cc1ccccc1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H25NOS/c20-17(16(21)14-15-6-2-1-3-7-15)19-12-10-18(11-13-19)8-4-5-9-18/h1-3,6-7,16,21H,4-5,8-14H2
InChIKeyUOZQQFAEXFESJU-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one?
The IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one (CID 107029334) is 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one is O=C(C(S)Cc1ccccc1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one?
The InChIKey is UOZQQFAEXFESJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c20-17(16(21)14-15-6-2-1-3-7-15)19-12-10-18(11-13-19)8-4-5-9-18/h1-3,6-7,16,21H,4-5,8-14H2.
What are the key properties of 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one?
1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one has a molecular weight of 303.47 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one is sourced from PubChem (CID 107029334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).