(6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid

C11H12FNO4S2 — CID 166290529

IUPAC(6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESO=C(O)[C@@H]1CC2(CC2)CN1S(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C11H12FNO4S2/c12-8-1-2-9(18-8)19(16,17)13-6-11(3-4-11)5-7(13)10(14)15/h1-2,7H,3-6H2,(H,14,15)/t7-/m0/s1
InChIKeyZZCMHNKDDGCENO-ZETCQYMHSA-N
MW305.35 g/mol
LogP1.51
Rot. Bonds3

About (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid

(6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid (PubChem CID 166290529) has the molecular formula C11H12FNO4S2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid
PubChem CID166290529
Molecular FormulaC11H12FNO4S2
Molecular Weight305.35 g/mol
Exact Mass305.02
IUPAC Name(6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESO=C(O)[C@@H]1CC2(CC2)CN1S(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C11H12FNO4S2/c12-8-1-2-9(18-8)19(16,17)13-6-11(3-4-11)5-7(13)10(14)15/h1-2,7H,3-6H2,(H,14,15)/t7-/m0/s1
InChIKeyZZCMHNKDDGCENO-ZETCQYMHSA-N
XLogP1.51
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid
CID 166293292
(6S)-5-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 166283554
4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 68760287
5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 167180309
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
3,3-dimethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 106831629
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid
CID 94322789
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61144941
4-[(5-fluorothiophen-2-yl)sulfonylamino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 167956872
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151107
1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 106265376

Frequently Asked Questions

What is the IUPAC name of (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The IUPAC name of (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid (CID 166290529) is (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid.
What is the SMILES notation for (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The canonical SMILES for (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid is O=C(O)[C@@H]1CC2(CC2)CN1S(=O)(=O)c1ccc(F)s1.
What is the InChIKey of (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The InChIKey is ZZCMHNKDDGCENO-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FNO4S2/c12-8-1-2-9(18-8)19(16,17)13-6-11(3-4-11)5-7(13)10(14)15/h1-2,7H,3-6H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
(6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid is sourced from PubChem (CID 166290529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).