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

C16H27F3N2O5S — CID 155852246

IUPACN-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CC[C@@]2(C[C@@H](NS(=O)(=O)C3CC3)CCO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H26N2O3S.C2HF3O2/c1-11(2)16-7-6-14(10-16)9-12(5-8-19-14)15-20(17,18)13-3-4-13;3-2(4,5)1(6)7/h11-13,15H,3-10H2,1-2H3;(H,6,7)/t12-,14+;/m0./s1
InChIKeyGZRPSNMUKYAXTP-DSHXVJGRSA-N
MW416.46 g/mol
LogP1.73
Rot. Bonds4

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

N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155852246) has the molecular formula C16H27F3N2O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155852246
Molecular FormulaC16H27F3N2O5S
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CC[C@@]2(C[C@@H](NS(=O)(=O)C3CC3)CCO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H26N2O3S.C2HF3O2/c1-11(2)16-7-6-14(10-16)9-12(5-8-19-14)15-20(17,18)13-3-4-13;3-2(4,5)1(6)7/h11-13,15H,3-10H2,1-2H3;(H,6,7)/t12-,14+;/m0./s1
InChIKeyGZRPSNMUKYAXTP-DSHXVJGRSA-N
XLogP1.73
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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,7R)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155825705
N-[[(5R,7R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155825903
N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155830038
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

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 155852246) is N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is CC(C)N1CC[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,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is GZRPSNMUKYAXTP-DSHXVJGRSA-N. The full InChI is InChI=1S/C14H26N2O3S.C2HF3O2/c1-11(2)16-7-6-14(10-16)9-12(5-8-19-14)15-20(17,18)13-3-4-13;3-2(4,5)1(6)7/h11-13,15H,3-10H2,1-2H3;(H,6,7)/t12-,14+;/m0./s1.
What are the key properties of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 416.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155852246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).