(2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid

C12H22N2O4S — CID 122104880

IUPAC(2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O4S/c1-9-11(12(15)16)7-4-8-14(9)19(17,18)13-10-5-2-3-6-10/h9-11,13H,2-8H2,1H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyOGCJENIGGYAGFQ-MWLCHTKSSA-N
MW290.38 g/mol
LogP0.95
Rot. Bonds4

About (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122104880) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122104880
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name(2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O4S/c1-9-11(12(15)16)7-4-8-14(9)19(17,18)13-10-5-2-3-6-10/h9-11,13H,2-8H2,1H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyOGCJENIGGYAGFQ-MWLCHTKSSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
CID 114533609
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64817232
N-cyclohexyl-1-(cyclopentylsulfamoyl)pyrrolidine-2-carboxamide
CID 110625685
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
(2R,3R)-1-(2-aminophenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104966
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
(2S,3S)-1-(2-ethoxyethylsulfonyl)-2-methylpiperidine-3-carboxylic acid
CID 122105232
(2S,3S)-2-methyl-1-(2-methylbutylsulfonyl)piperidine-3-carboxylic acid
CID 122105024
(2R,3R)-1-(1-benzoylazetidin-3-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105008
(2S,3S)-1-[2-(2-methoxyethoxy)ethylsulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105158

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid (CID 122104880) is (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1S(=O)(=O)NC1CCCC1.
What is the InChIKey of (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is OGCJENIGGYAGFQ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9-11(12(15)16)7-4-8-14(9)19(17,18)13-10-5-2-3-6-10/h9-11,13H,2-8H2,1H3,(H,15,16)/t9-,11-/m1/s1.
What are the key properties of (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122104880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).