N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

C12H21F2NOS — CID 103516938

IUPACN-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESCCNC(C(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H21F2NOS/c1-2-15-10(11(13)14)9-3-5-16-12(7-9)4-6-17-8-12/h9-11,15H,2-8H2,1H3
InChIKeyKCERRRZJEHVDIM-UHFFFAOYSA-N
MW265.37 g/mol
LogP2.53
Rot. Bonds4

About N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 103516938) has the molecular formula C12H21F2NOS and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
PubChem CID103516938
Molecular FormulaC12H21F2NOS
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESCCNC(C(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H21F2NOS/c1-2-15-10(11(13)14)9-3-5-16-12(7-9)4-6-17-8-12/h9-11,15H,2-8H2,1H3
InChIKeyKCERRRZJEHVDIM-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 103028621
N-ethyl-3-methoxy-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 103028623
3-methoxy-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
CID 103028624
4-methoxy-4-methyl-N-propyl-1-(thiolan-3-yl)pentan-1-amine
CID 103031249
N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897878
N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898037
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903043
N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79904037
3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79908395
3,3,3-trifluoro-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79914073
3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914175

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (CID 103516938) is N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is CCNC(C(F)F)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is KCERRRZJEHVDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NOS/c1-2-15-10(11(13)14)9-3-5-16-12(7-9)4-6-17-8-12/h9-11,15H,2-8H2,1H3.
What are the key properties of N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 265.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 103516938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).