10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane

C14H25F3N2O2S — CID 56744657

IUPAC10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane
SMILESCN1CCCC2(CC1)CCN(S(=O)(=O)CCC(F)(F)F)CC2
InChIInChI=1S/C14H25F3N2O2S/c1-18-8-2-3-13(4-9-18)5-10-19(11-6-13)22(20,21)12-7-14(15,16)17/h2-12H2,1H3
InChIKeyYODCAEVLOPBXLV-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.47
Rot. Bonds3

About 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane

10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane (PubChem CID 56744657) has the molecular formula C14H25F3N2O2S and a molecular weight of 342.43 g/mol. Its IUPAC name is 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane
PubChem CID56744657
Molecular FormulaC14H25F3N2O2S
Molecular Weight342.43 g/mol
Exact Mass342.16
IUPAC Name10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane
SMILESCN1CCCC2(CC1)CCN(S(=O)(=O)CCC(F)(F)F)CC2
InChIInChI=1S/C14H25F3N2O2S/c1-18-8-2-3-13(4-9-18)5-10-19(11-6-13)22(20,21)12-7-14(15,16)17/h2-12H2,1H3
InChIKeyYODCAEVLOPBXLV-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-8-[(3,3,3-trifluoropropyl)sulfonyl]-2,8-diazaspiro[4.5]decane
CID 50949833
3-Cyclopropylsulfonyl-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane
CID 128487129
(4S)-1-(3,3-difluoro-2,2-dimethylpentyl)sulfonyl-N,N-dimethylazepan-4-amine
CID 164642459
4-Methyl-1-methylsulfonyl-4-(trifluoromethyl)azepane
CID 91434914
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-(3,3-difluoro-2,2-dimethylpentyl)sulfonyl-N,N-dimethylazepan-4-amine
CID 126836462
4-(Difluoromethyl)-1-(3,3-dimethylbutylsulfonyl)piperidine
CID 145894224
3-(4,4-Dimethylazepan-1-yl)propane-1-sulfonamide
CID 112693152

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane?
The IUPAC name of 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane (CID 56744657) is 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane is CN1CCCC2(CC1)CCN(S(=O)(=O)CCC(F)(F)F)CC2.
What is the InChIKey of 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane?
The InChIKey is YODCAEVLOPBXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2S/c1-18-8-2-3-13(4-9-18)5-10-19(11-6-13)22(20,21)12-7-14(15,16)17/h2-12H2,1H3.
What are the key properties of 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane?
10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane has a molecular weight of 342.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-(3,3,3-trifluoropropylsulfonyl)-3,10-diazaspiro[5.6]dodecane is sourced from PubChem (CID 56744657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).