(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid

C14H19NO5S — CID 136580990

IUPAC(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
SMILESCOCc1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H19NO5S/c1-20-10-11-4-2-6-13(8-11)21(18,19)15-7-3-5-12(9-15)14(16)17/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyRUJZCLIFHIFZMT-GFCCVEGCSA-N
MW313.38 g/mol
LogP1.32
Rot. Bonds5

About (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid

(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid (PubChem CID 136580990) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
PubChem CID136580990
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
SMILESCOCc1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H19NO5S/c1-20-10-11-4-2-6-13(8-11)21(18,19)15-7-3-5-12(9-15)14(16)17/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyRUJZCLIFHIFZMT-GFCCVEGCSA-N
XLogP1.32
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
1-[3-(methoxymethyl)phenyl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105911
(3S)-1-(3-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 124625888
1-(3-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 120716574
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
1-[3-(dimethylamino)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 120605790
(2S,3S)-1-[3-(methoxymethyl)phenyl]sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105060
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 3463250
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81127690
1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977844
1-[4-(bromomethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 71649595
1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 120681723

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid (CID 136580990) is (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid is COCc1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
The InChIKey is RUJZCLIFHIFZMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-20-10-11-4-2-6-13(8-11)21(18,19)15-7-3-5-12(9-15)14(16)17/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 136580990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).