N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

C14H23F3N2O5S — CID 155850372

IUPACN-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN1CC[C@@]2(C[C@H](NS(=O)(=O)C3CC3)CCO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O3S.C2HF3O2/c1-14-6-5-12(9-14)8-10(4-7-17-12)13-18(15,16)11-2-3-11;3-2(4,5)1(6)7/h10-11,13H,2-9H2,1H3;(H,6,7)/t10-,12-;/m1./s1
InChIKeyZGBAGSDBPXJFOF-MHDYBILJSA-N
MW388.41 g/mol
LogP0.95
Rot. Bonds3

About N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155850372) has the molecular formula C14H23F3N2O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155850372
Molecular FormulaC14H23F3N2O5S
Molecular Weight388.41 g/mol
Exact Mass388.13
IUPAC NameN-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN1CC[C@@]2(C[C@H](NS(=O)(=O)C3CC3)CCO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O3S.C2HF3O2/c1-14-6-5-12(9-14)8-10(4-7-17-12)13-18(15,16)11-2-3-11;3-2(4,5)1(6)7/h10-11,13H,2-9H2,1H3;(H,6,7)/t10-,12-;/m1./s1
InChIKeyZGBAGSDBPXJFOF-MHDYBILJSA-N
XLogP0.95
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 127023260
N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 127023634
N-[(5R,9S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 127023635
N-[(5R,9R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 131691633
N-[[(5R,7R)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155825705
N-[[(5R,7S)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155830077
N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155830159
N-[[(5R,7R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155830234
N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155830267
N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155830811
N-[[(5R,7S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155831847
N-[[(5R,7R)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155833196

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 155850372) is N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is CN1CC[C@@]2(C[C@H](NS(=O)(=O)C3CC3)CCO2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZGBAGSDBPXJFOF-MHDYBILJSA-N. The full InChI is InChI=1S/C12H22N2O3S.C2HF3O2/c1-14-6-5-12(9-14)8-10(4-7-17-12)13-18(15,16)11-2-3-11;3-2(4,5)1(6)7/h10-11,13H,2-9H2,1H3;(H,6,7)/t10-,12-;/m1./s1.
What are the key properties of N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 388.41 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).