(2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid

C17H23N3O4S — CID 122105085

IUPAC(2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC(C)n1ncc2cc(S(=O)(=O)N3CCC[C@H](C(=O)O)[C@@H]3C)ccc21
InChIInChI=1S/C17H23N3O4S/c1-11(2)20-16-7-6-14(9-13(16)10-18-20)25(23,24)19-8-4-5-15(12(19)3)17(21)22/h6-7,9-12,15H,4-5,8H2,1-3H3,(H,21,22)/t12-,15-/m0/s1
InChIKeyAKNTXHWAUDGXFL-WFASDCNBSA-N
MW365.46 g/mol
LogP2.49
Rot. Bonds4

About (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid

(2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 122105085) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID122105085
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name(2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC(C)n1ncc2cc(S(=O)(=O)N3CCC[C@H](C(=O)O)[C@@H]3C)ccc21
InChIInChI=1S/C17H23N3O4S/c1-11(2)20-16-7-6-14(9-13(16)10-18-20)25(23,24)19-8-4-5-15(12(19)3)17(21)22/h6-7,9-12,15H,4-5,8H2,1-3H3,(H,21,22)/t12-,15-/m0/s1
InChIKeyAKNTXHWAUDGXFL-WFASDCNBSA-N
XLogP2.49
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-3-carboxylic acid
CID 122104757
(2S,3S)-2-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105016
(2R,3R)-2-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105350
(2R,3R)-1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105070
(2S,3S)-1-[3-(methoxymethyl)phenyl]sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105060
(2R,3R)-1-(4-ethenylphenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104769
(2R,3R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105454
(2R,3R)-1-[3-(dimethylamino)phenyl]sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104913
(2R,3R)-1-(4-cyano-3-fluorophenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104727
(2R,3R)-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122105471
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370777
(2S,3S)-2-methyl-1-(3-propanoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105236

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid (CID 122105085) is (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid is CC(C)n1ncc2cc(S(=O)(=O)N3CCC[C@H](C(=O)O)[C@@H]3C)ccc21.
What is the InChIKey of (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is AKNTXHWAUDGXFL-WFASDCNBSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-11(2)20-16-7-6-14(9-13(16)10-18-20)25(23,24)19-8-4-5-15(12(19)3)17(21)22/h6-7,9-12,15H,4-5,8H2,1-3H3,(H,21,22)/t12-,15-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid?
(2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 365.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122105085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).