methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate

C19H30N2O2S — CID 118661997

IUPACmethyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate
SMILESCOC(=O)CCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C19H30N2O2S/c1-20(2)19(16-5-4-14-24-16)9-7-18(8-10-19)11-13-21(15-18)12-6-17(22)23-3/h4-5,14H,6-13,15H2,1-3H3
InChIKeyDPIKDMGMVSKRMY-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.33
Rot. Bonds5

About methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate

methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate (PubChem CID 118661997) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate
PubChem CID118661997
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Namemethyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate
SMILESCOC(=O)CCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C19H30N2O2S/c1-20(2)19(16-5-4-14-24-16)9-7-18(8-10-19)11-13-21(15-18)12-6-17(22)23-3/h4-5,14H,6-13,15H2,1-3H3
InChIKeyDPIKDMGMVSKRMY-UHFFFAOYSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate?
The IUPAC name of methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate (CID 118661997) is methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate?
The canonical SMILES for methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate is COC(=O)CCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1.
What is the InChIKey of methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate?
The InChIKey is DPIKDMGMVSKRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-20(2)19(16-5-4-14-24-16)9-7-18(8-10-19)11-13-21(15-18)12-6-17(22)23-3/h4-5,14H,6-13,15H2,1-3H3.
What are the key properties of methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate?
methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate has a molecular weight of 350.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]propanoate is sourced from PubChem (CID 118661997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).