4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid

C10H13FN2O4S2 — CID 166293292

IUPAC4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccc(F)s2)CC1C(=O)O
InChIInChI=1S/C10H13FN2O4S2/c1-12-4-5-13(6-7(12)10(14)15)19(16,17)9-3-2-8(11)18-9/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyNWDJANRDKBLGNA-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.28
Rot. Bonds3

About 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid

4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid (PubChem CID 166293292) has the molecular formula C10H13FN2O4S2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid
PubChem CID166293292
Molecular FormulaC10H13FN2O4S2
Molecular Weight308.36 g/mol
Exact Mass308.03
IUPAC Name4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccc(F)s2)CC1C(=O)O
InChIInChI=1S/C10H13FN2O4S2/c1-12-4-5-13(6-7(12)10(14)15)19(16,17)9-3-2-8(11)18-9/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyNWDJANRDKBLGNA-UHFFFAOYSA-N
XLogP0.28
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxylic acid
CID 166530320
(6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 166290529
4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
CID 66509723
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151107
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781
1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 106265376
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61144941
(3S,4S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135091674
(3S,4R)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090321
5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 54907275
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid (CID 166293292) is 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid is CN1CCN(S(=O)(=O)c2ccc(F)s2)CC1C(=O)O.
What is the InChIKey of 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid?
The InChIKey is NWDJANRDKBLGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S2/c1-12-4-5-13(6-7(12)10(14)15)19(16,17)9-3-2-8(11)18-9/h2-3,7H,4-6H2,1H3,(H,14,15).
What are the key properties of 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid?
4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluorothiophen-2-yl)sulfonyl-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 166293292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).