S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane

C15H29F2N3S — CID 163274969

IUPACS-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane
SMILESCC.NSN(CC1CCC(F)(F)CC1)C1CC2(CNC2)C1
InChIInChI=1S/C13H23F2N3S.C2H6/c14-13(15)3-1-10(2-4-13)7-18(19-16)11-5-12(6-11)8-17-9-12;1-2/h10-11,17H,1-9,16H2;1-2H3
InChIKeySFKWZKYXKPQQBB-UHFFFAOYSA-N
MW321.48 g/mol
LogP3.41
Rot. Bonds4

About S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane

S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane (PubChem CID 163274969) has the molecular formula C15H29F2N3S and a molecular weight of 321.48 g/mol. Its IUPAC name is S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane.

Molecular Properties

Compound NameS-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane
PubChem CID163274969
Molecular FormulaC15H29F2N3S
Molecular Weight321.48 g/mol
Exact Mass321.21
IUPAC NameS-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane
SMILESCC.NSN(CC1CCC(F)(F)CC1)C1CC2(CNC2)C1
InChIInChI=1S/C13H23F2N3S.C2H6/c14-13(15)3-1-10(2-4-13)7-18(19-16)11-5-12(6-11)8-17-9-12;1-2/h10-11,17H,1-9,16H2;1-2H3
InChIKeySFKWZKYXKPQQBB-UHFFFAOYSA-N
XLogP3.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane with MolForge

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Related Compounds

3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine
CID 130487658
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
N-[(4,4-difluorocyclohexyl)methyl]-N-methyl-4-(trifluoromethyl)piperidine-4-carboxamide
CID 176759241
N,N-diethyl-2-azaspiro[3.4]octan-6-amine
CID 171092576
ethane;7-(2-methylpropyl)-2-azaspiro[3.5]nonane
CID 177021220
1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
CID 134254896
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride
CID 162340561
4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one
CID 128702306
2-azaspiro[4.5]decan-8-ylmethanamine
CID 71649170
S-[[2-(7-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-2-azaspiro[3.3]heptan-6-yl]-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]thiohydroxylamine
CID 163274693
2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten
CID 176695388

Frequently Asked Questions

What is the IUPAC name of S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane?
The IUPAC name of S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane (CID 163274969) is S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane.
What is the SMILES notation for S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane?
The canonical SMILES for S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane is CC.NSN(CC1CCC(F)(F)CC1)C1CC2(CNC2)C1.
What is the InChIKey of S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane?
The InChIKey is SFKWZKYXKPQQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3S.C2H6/c14-13(15)3-1-10(2-4-13)7-18(19-16)11-5-12(6-11)8-17-9-12;1-2/h10-11,17H,1-9,16H2;1-2H3.
What are the key properties of S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane?
S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane has a molecular weight of 321.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane is sourced from PubChem (CID 163274969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).