N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride

C16H25ClN2O2S — CID 154910283

IUPACN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
SMILESCOCCN(Cc1ccsc1)C(=O)C1CC12CCNCC2.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-20-8-7-18(11-13-2-9-21-12-13)15(19)14-10-16(14)3-5-17-6-4-16;/h2,9,12,14,17H,3-8,10-11H2,1H3;1H
InChIKeyPPIBKCZEYQHLNM-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.53
Rot. Bonds6

About N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride

N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride (PubChem CID 154910283) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
PubChem CID154910283
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC NameN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
SMILESCOCCN(Cc1ccsc1)C(=O)C1CC12CCNCC2.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-20-8-7-18(11-13-2-9-21-12-13)15(19)14-10-16(14)3-5-17-6-4-16;/h2,9,12,14,17H,3-8,10-11H2,1H3;1H
InChIKeyPPIBKCZEYQHLNM-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride (CID 154910283) is N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride is COCCN(Cc1ccsc1)C(=O)C1CC12CCNCC2.Cl.
What is the InChIKey of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The InChIKey is PPIBKCZEYQHLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-20-8-7-18(11-13-2-9-21-12-13)15(19)14-10-16(14)3-5-17-6-4-16;/h2,9,12,14,17H,3-8,10-11H2,1H3;1H.
What are the key properties of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride is sourced from PubChem (CID 154910283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).