(2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid

C15H26F2N2O4S — CID 150899093

IUPAC(2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid
SMILESCC(F)(F)C[C@@H](CNS(=O)(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H26F2N2O4S/c1-14(16,17)10-12(13(20)21)11-18-24(22,23)19-8-6-15(7-9-19)4-2-3-5-15/h12,18H,2-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyKZQBBYVVXCJPPD-LBPRGKRZSA-N
MW368.45 g/mol
LogP2.22
Rot. Bonds7

About (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid

(2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid (PubChem CID 150899093) has the molecular formula C15H26F2N2O4S and a molecular weight of 368.45 g/mol. Its IUPAC name is (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid
PubChem CID150899093
Molecular FormulaC15H26F2N2O4S
Molecular Weight368.45 g/mol
Exact Mass368.16
IUPAC Name(2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid
SMILESCC(F)(F)C[C@@H](CNS(=O)(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H26F2N2O4S/c1-14(16,17)10-12(13(20)21)11-18-24(22,23)19-8-6-15(7-9-19)4-2-3-5-15/h12,18H,2-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyKZQBBYVVXCJPPD-LBPRGKRZSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea
CID 134126333
(2S)-2-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]-4,4-difluoro-5-phenylpentanoic acid
CID 151805238
N-(2-bromo-4,4-dimethylpentyl)pyrrolidine-1-sulfonamide
CID 107158123
N-(2-bromo-4,4-dimethylpentyl)azepane-1-sulfonamide
CID 107158076
(2S)-3-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminopropanoic acid
CID 70945507
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107323993
1-(ethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114806141
3-propan-2-yl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 106982852
4,4-dimethyl-2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 107474278
4-(azepan-1-ylsulfonylamino)-3-methylbutanoic acid
CID 81065684
2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid
CID 63162376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid?
The IUPAC name of (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid (CID 150899093) is (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid.
What is the SMILES notation for (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid?
The canonical SMILES for (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid is CC(F)(F)C[C@@H](CNS(=O)(=O)N1CCC2(CCCC2)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid?
The InChIKey is KZQBBYVVXCJPPD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26F2N2O4S/c1-14(16,17)10-12(13(20)21)11-18-24(22,23)19-8-6-15(7-9-19)4-2-3-5-15/h12,18H,2-11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid?
(2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid has a molecular weight of 368.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid is sourced from PubChem (CID 150899093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).