5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile

C19H18N2O2S — CID 128719087

IUPAC5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CC3(CCOCC3)C2c2ccccc2)s1
InChIInChI=1S/C19H18N2O2S/c20-12-15-6-7-16(24-15)18(22)21-13-19(8-10-23-11-9-19)17(21)14-4-2-1-3-5-14/h1-7,17H,8-11,13H2
InChIKeyVPDAAASARIORBN-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.61
Rot. Bonds2

About 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile

5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile (PubChem CID 128719087) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile
PubChem CID128719087
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CC3(CCOCC3)C2c2ccccc2)s1
InChIInChI=1S/C19H18N2O2S/c20-12-15-6-7-16(24-15)18(22)21-13-19(8-10-23-11-9-19)17(21)14-4-2-1-3-5-14/h1-7,17H,8-11,13H2
InChIKeyVPDAAASARIORBN-UHFFFAOYSA-N
XLogP3.61
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 125420218
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
CID 128730546
[3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 167948630
1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 167988151
3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one
CID 128658185
(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone
CID 129347762
4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid
CID 113280487
3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione
CID 128668051
1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone
CID 128658219
[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone
CID 136565543
1-benzoyl-6-oxaspiro[2.5]octane-2,2-dicarbonitrile
CID 5057494
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
CID 154770333

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile (CID 128719087) is 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile is N#Cc1ccc(C(=O)N2CC3(CCOCC3)C2c2ccccc2)s1.
What is the InChIKey of 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile?
The InChIKey is VPDAAASARIORBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c20-12-15-6-7-16(24-15)18(22)21-13-19(8-10-23-11-9-19)17(21)14-4-2-1-3-5-14/h1-7,17H,8-11,13H2.
What are the key properties of 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile?
5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile has a molecular weight of 338.43 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)thiophene-2-carbonitrile is sourced from PubChem (CID 128719087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).