N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C16H24F2N2OS — CID 120967049

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESFC(F)COCCN(Cc1ccsc1)C1CC12CCNCC2
InChIInChI=1S/C16H24F2N2OS/c17-15(18)11-21-7-6-20(10-13-1-8-22-12-13)14-9-16(14)2-4-19-5-3-16/h1,8,12,14-15,19H,2-7,9-11H2
InChIKeyQSLWDDLVRCVQTG-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.97
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 120967049) has the molecular formula C16H24F2N2OS and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID120967049
Molecular FormulaC16H24F2N2OS
Molecular Weight330.44 g/mol
Exact Mass330.16
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESFC(F)COCCN(Cc1ccsc1)C1CC12CCNCC2
InChIInChI=1S/C16H24F2N2OS/c17-15(18)11-21-7-6-20(10-13-1-8-22-12-13)14-9-16(14)2-4-19-5-3-16/h1,8,12,14-15,19H,2-7,9-11H2
InChIKeyQSLWDDLVRCVQTG-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 128997787
N-[[4-(difluoromethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845091
N-[2-(2,2-difluoroethoxy)ethyl]-N-[(1-ethylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120967087
3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide
CID 129325122
N-(thiolan-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 120845148
(2R)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129324301
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine;dihydrochloride
CID 128997510
5-[[6-azaspiro[2.5]octan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 129008083
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129335525
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 129475653

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 120967049) is N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine is FC(F)COCCN(Cc1ccsc1)C1CC12CCNCC2.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is QSLWDDLVRCVQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2OS/c17-15(18)11-21-7-6-20(10-13-1-8-22-12-13)14-9-16(14)2-4-19-5-3-16/h1,8,12,14-15,19H,2-7,9-11H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 330.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 120967049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).