(4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine

C13H24F2N2S — CID 170022814

IUPAC(4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine
SMILESCSC(C)(C)N1CCC2(CC1)CC(F)(F)C[C@@H]2N
InChIInChI=1S/C13H24F2N2S/c1-11(2,18-3)17-6-4-12(5-7-17)9-13(14,15)8-10(12)16/h10H,4-9,16H2,1-3H3/t10-/m0/s1
InChIKeyGTGPXJGAQCGABT-JTQLQIEISA-N
MW278.41 g/mol
LogP2.92
Rot. Bonds2

About (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine

(4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine (PubChem CID 170022814) has the molecular formula C13H24F2N2S and a molecular weight of 278.41 g/mol. Its IUPAC name is (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine
PubChem CID170022814
Molecular FormulaC13H24F2N2S
Molecular Weight278.41 g/mol
Exact Mass278.16
IUPAC Name(4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine
SMILESCSC(C)(C)N1CCC2(CC1)CC(F)(F)C[C@@H]2N
InChIInChI=1S/C13H24F2N2S/c1-11(2,18-3)17-6-4-12(5-7-17)9-13(14,15)8-10(12)16/h10H,4-9,16H2,1-3H3/t10-/m0/s1
InChIKeyGTGPXJGAQCGABT-JTQLQIEISA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine with MolForge

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Related Compounds

tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
CID 146621230
tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate
CID 170898194
6,6-difluorospiro[2.5]octan-2-amine;hydrochloride
CID 86276611
6-(2-methylbutan-2-yl)-6-azaspiro[3.4]octan-3-amine
CID 155370700
5-tert-butyl-5-azaspiro[2.5]octan-8-amine
CID 160902227
1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine
CID 129258640
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
CID 157282567
5-propan-2-yl-5-azaspiro[2.5]octan-2-amine
CID 155648637
(4S)-3,3-difluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477426
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine (CID 170022814) is (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine is CSC(C)(C)N1CCC2(CC1)CC(F)(F)C[C@@H]2N.
What is the InChIKey of (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine?
The InChIKey is GTGPXJGAQCGABT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24F2N2S/c1-11(2,18-3)17-6-4-12(5-7-17)9-13(14,15)8-10(12)16/h10H,4-9,16H2,1-3H3/t10-/m0/s1.
What are the key properties of (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine?
(4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine has a molecular weight of 278.41 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-difluoro-8-(2-methylsulfanylpropan-2-yl)-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 170022814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).