2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane

C12H21F3N2O2S — CID 50949833

IUPAC2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCN(S(=O)(=O)CCC(F)(F)F)CC2)C1
InChIInChI=1S/C12H21F3N2O2S/c1-16-6-2-11(10-16)3-7-17(8-4-11)20(18,19)9-5-12(13,14)15/h2-10H2,1H3
InChIKeyHJVAMHVLOHTSQS-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.69
Rot. Bonds3

About 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane

2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane (PubChem CID 50949833) has the molecular formula C12H21F3N2O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane
PubChem CID50949833
Molecular FormulaC12H21F3N2O2S
Molecular Weight314.37 g/mol
Exact Mass314.13
IUPAC Name2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCN(S(=O)(=O)CCC(F)(F)F)CC2)C1
InChIInChI=1S/C12H21F3N2O2S/c1-16-6-2-11(10-16)3-7-17(8-4-11)20(18,19)9-5-12(13,14)15/h2-10H2,1H3
InChIKeyHJVAMHVLOHTSQS-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Isobutyl-4-{1-[(2,2,2-trifluoroethyl)sulfonyl]-3-pyrrolidinyl}piperidine
CID 45249519
2-[(2,2,2-Trifluoroethyl)sulfonyl]-2,8-diazaspiro[4.5]decane
CID 56707132
4-Methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 71114479
4,4-Diethyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 134225287
4-Tert-butyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 155458510
4-Propan-2-yl-1-propylsulfonyl-4-(trifluoromethyl)piperidine
CID 177291832
1-(2-methylpropyl)-4-[(3S)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidin-3-yl]piperidine
CID 26404136
1-(2-methylpropyl)-4-[(3R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidin-3-yl]piperidine
CID 26404139
9-Methyl-3-[(3,3,3-trifluoropropyl)sulfonyl]-3,9-diazaspiro[5.6]dodecane
CID 56744657
1-Propylsulfonyl-4-(trifluoromethyl)piperidine
CID 65545946
1-Propan-2-ylsulfonyl-4-(trifluoromethyl)piperidine
CID 65545947
1-Pentylsulfonyl-4-(trifluoromethyl)piperidine
CID 75522287

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane (CID 50949833) is 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane is CN1CCC2(CCN(S(=O)(=O)CCC(F)(F)F)CC2)C1.
What is the InChIKey of 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is HJVAMHVLOHTSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2S/c1-16-6-2-11(10-16)3-7-17(8-4-11)20(18,19)9-5-12(13,14)15/h2-10H2,1H3.
What are the key properties of 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane?
2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 314.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(3,3,3-trifluoropropylsulfonyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 50949833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).