3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid

C14H20N2O4S — CID 63135869

IUPAC3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(S(=O)(=O)CCc2ccccn2)C1
InChIInChI=1S/C14H20N2O4S/c1-14(13(17)18)7-4-9-16(11-14)21(19,20)10-6-12-5-2-3-8-15-12/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,17,18)
InChIKeyZVGNUWZCZZJLSN-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.14
Rot. Bonds5

About 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid

3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid (PubChem CID 63135869) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid
PubChem CID63135869
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(S(=O)(=O)CCc2ccccn2)C1
InChIInChI=1S/C14H20N2O4S/c1-14(13(17)18)7-4-9-16(11-14)21(19,20)10-6-12-5-2-3-8-15-12/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,17,18)
InChIKeyZVGNUWZCZZJLSN-UHFFFAOYSA-N
XLogP1.14
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681749
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate
CID 78926034
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 64987808
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 3717888

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid (CID 63135869) is 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(S(=O)(=O)CCc2ccccn2)C1.
What is the InChIKey of 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid?
The InChIKey is ZVGNUWZCZZJLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-14(13(17)18)7-4-9-16(11-14)21(19,20)10-6-12-5-2-3-8-15-12/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,17,18).
What are the key properties of 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63135869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).