(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone

C14H19NO2S — CID 110197926

IUPAC(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone
SMILESCOC1CCC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C14H19NO2S/c1-17-12-4-5-14(12)6-8-15(9-7-14)13(16)11-3-2-10-18-11/h2-3,10,12H,4-9H2,1H3
InChIKeyTWJUTUFKIWNSGZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.78
Rot. Bonds2

About (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone

(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone (PubChem CID 110197926) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone
PubChem CID110197926
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone
SMILESCOC1CCC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C14H19NO2S/c1-17-12-4-5-14(12)6-8-15(9-7-14)13(16)11-3-2-10-18-11/h2-3,10,12H,4-9H2,1H3
InChIKeyTWJUTUFKIWNSGZ-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide
CID 3739463
2,6-Dimethylmorpholin-4-yl 2-thienyl ketone
CID 2851287
Ethyl 1-(2-thienylcarbonyl)-4-piperidinecarboxylate
CID 728491
2-Azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone
CID 54580944
Ethyl 3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 49789352
(1R*,3S*)-7-{[5-(ethylthio)-2-thienyl]carbonyl}-7-azaspiro[3.5]nonane-1,3-diol
CID 70710579
N-[(4-Methyloxan-4-YL)methyl]thiophene-2-carboxamide
CID 103742554
3-Methyl-N-[(4-methyloxan-4-YL)methyl]thiophene-2-carboxamide
CID 110875686
N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
CID 110875708
2,6-Dimethyl-4-[(3-methyl-2-thienyl)carbonyl]morpholine
CID 3613816
(4-Methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 668781
3,5-Dimethylpiperidyl 2-thienyl ketone
CID 3497465

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone (CID 110197926) is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone is COC1CCC12CCN(C(=O)c1cccs1)CC2.
What is the InChIKey of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone?
The InChIKey is TWJUTUFKIWNSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-17-12-4-5-14(12)6-8-15(9-7-14)13(16)11-3-2-10-18-11/h2-3,10,12H,4-9H2,1H3.
What are the key properties of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone?
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone has a molecular weight of 265.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110197926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).