(2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid

C10H16FNO4S — CID 121438801

IUPAC(2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid
SMILESO=C(O)[C@@H](F)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C10H16FNO4S/c11-9(10(13)14)7-3-5-12(6-4-7)17(15,16)8-1-2-8/h7-9H,1-6H2,(H,13,14)/t9-/m0/s1
InChIKeyGGUWPUUMELBAJC-VIFPVBQESA-N
MW265.31 g/mol
LogP0.61
Rot. Bonds4

About (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid

(2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid (PubChem CID 121438801) has the molecular formula C10H16FNO4S and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid
PubChem CID121438801
Molecular FormulaC10H16FNO4S
Molecular Weight265.31 g/mol
Exact Mass265.08
IUPAC Name(2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid
SMILESO=C(O)[C@@H](F)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C10H16FNO4S/c11-9(10(13)14)7-3-5-12(6-4-7)17(15,16)8-1-2-8/h7-9H,1-6H2,(H,13,14)/t9-/m0/s1
InChIKeyGGUWPUUMELBAJC-VIFPVBQESA-N
XLogP0.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Cyclopropylsulfonyl)piperidine-4-carboxylic acid
CID 25000516
1-(Ethanesulfonyl)piperidine-3-carboxylic acid
CID 3614991
1-(Cyclopropylsulfonyl)piperidine-3-carboxylic acid
CID 45496794
2-(1-Cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid
CID 121438936
1-(Propane-1-sulfonyl)piperidine-3-carboxylic acid
CID 4047206
(1-Methanesulfonyl-piperidin-4-yl)-acetic acid
CID 28280442
4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 65533660
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]acetic acid
CID 79608369
2-[1-(Difluoromethylsulfonyl)piperidin-4-yl]acetic acid
CID 79608661
3-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-3-yl]propanoic acid
CID 83047004
(3R)-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboxylic acid
CID 83068185
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboxylic acid
CID 83068259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid?
The IUPAC name of (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid (CID 121438801) is (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid.
What is the SMILES notation for (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid?
The canonical SMILES for (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid is O=C(O)[C@@H](F)C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid?
The InChIKey is GGUWPUUMELBAJC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16FNO4S/c11-9(10(13)14)7-3-5-12(6-4-7)17(15,16)8-1-2-8/h7-9H,1-6H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid?
(2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid has a molecular weight of 265.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-fluoroacetic acid is sourced from PubChem (CID 121438801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).