(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone

C15H21NO2S — CID 110197934

IUPAC(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1ccc(C)s1)CC2
InChIInChI=1S/C15H21NO2S/c1-11-3-4-12(19-11)14(17)16-9-7-15(8-10-16)6-5-13(15)18-2/h3-4,13H,5-10H2,1-2H3
InChIKeyVMJLDPQECDQDOE-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.09
Rot. Bonds2

About (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone

(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 110197934) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID110197934
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1ccc(C)s1)CC2
InChIInChI=1S/C15H21NO2S/c1-11-3-4-12(19-11)14(17)16-9-7-15(8-10-16)6-5-13(15)18-2/h3-4,13H,5-10H2,1-2H3
InChIKeyVMJLDPQECDQDOE-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(2-thienylcarbonyl)-4-piperidinecarboxylate
CID 728491
(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
[4-(Methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl](5-methyl-2-thienyl)methanone
CID 91905839
N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
CID 110875708
4-Methoxy-1-(4-methylthiophene-2-carbonyl)piperidine
CID 49720275
[4-(2-Methoxyethyl)piperidino](5-methyl-2-thienyl)methanone
CID 53150844
[4-(2-Methoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150894
N-Methyl-N-[(oxan-4-YL)methyl]thiophene-2-carboxamide
CID 64591542
(1R*,3S*)-3-(2-hydroxyethoxy)-7-[(5-methyl-2-thienyl)carbonyl]-7-azaspiro[3.5]nonan-1-ol
CID 72940486
[4-[(Dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
CID 87053374
2-Cyclobutyl-4-(methoxymethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decane
CID 91910563

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone (CID 110197934) is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone is COC1CCC12CCN(C(=O)c1ccc(C)s1)CC2.
What is the InChIKey of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is VMJLDPQECDQDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-3-4-12(19-11)14(17)16-9-7-15(8-10-16)6-5-13(15)18-2/h3-4,13H,5-10H2,1-2H3.
What are the key properties of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone?
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 279.40 g/mol, XLogP of 3.09, 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)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 110197934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).