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

C16H24N2O2S — CID 125441868

IUPAC(2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOCCN(Cc1ccsc1)C(=O)[C@H]1CC12CCNCC2
InChIInChI=1S/C16H24N2O2S/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/t14-/m1/s1
InChIKeyFVIRCEAZZRKCLK-CQSZACIVSA-N
MW308.45 g/mol
LogP2.11
Rot. Bonds6

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

(2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 125441868) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID125441868
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOCCN(Cc1ccsc1)C(=O)[C@H]1CC12CCNCC2
InChIInChI=1S/C16H24N2O2S/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/t14-/m1/s1
InChIKeyFVIRCEAZZRKCLK-CQSZACIVSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154910283
N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 131899293
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 128997787
(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
CID 129344233
N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 99960024
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 129475653
N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide
CID 171134718
N-(2-methoxyethyl)-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 72926513
N-(2-methoxyethyl)-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 74240165
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 129466841

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 125441868) is (2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is COCCN(Cc1ccsc1)C(=O)[C@H]1CC12CCNCC2.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is FVIRCEAZZRKCLK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2S/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/t14-/m1/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 125441868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).