1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride

C8H17ClN2O4S — CID 75422240

IUPAC1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.NS(=O)(=O)CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C8H16N2O4S.ClH/c9-15(13,14)6-5-10-3-1-7(2-4-10)8(11)12;/h7H,1-6H2,(H,11,12)(H2,9,13,14);1H
InChIKeyDUTKHZZGAQRFRR-UHFFFAOYSA-N
MW272.75 g/mol
LogP-0.51
Rot. Bonds4

About 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride

1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 75422240) has the molecular formula C8H17ClN2O4S and a molecular weight of 272.75 g/mol. Its IUPAC name is 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID75422240
Molecular FormulaC8H17ClN2O4S
Molecular Weight272.75 g/mol
Exact Mass272.06
IUPAC Name1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.NS(=O)(=O)CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C8H16N2O4S.ClH/c9-15(13,14)6-5-10-3-1-7(2-4-10)8(11)12;/h7H,1-6H2,(H,11,12)(H2,9,13,14);1H
InChIKeyDUTKHZZGAQRFRR-UHFFFAOYSA-N
XLogP-0.51
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
1-(Cyclopropylsulfonyl)piperidine-4-carboxylic acid
CID 25000516
1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
Methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
CID 56828082
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid
CID 75422241
1-(4,4,4-Trifluorobutylsulfonyl)piperidine-4-carboxylic acid
CID 83068248
1-(3-Fluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 120082415
1-(1,1,1-Trifluoropropan-2-ylsulfonyl)piperidine-4-carboxylic acid
CID 120395903
1-(4-Fluorobutylsulfonyl)piperidine-4-carboxylic acid
CID 121768349
1-[(2-Ethoxy-2-oxoethyl)sulfonyl]-4-piperidinecarboxylic acid
CID 17906600
1-(Isopropylsulfonyl)piperidine-4-carboxylic acid
CID 21334204

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride (CID 75422240) is 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride is Cl.NS(=O)(=O)CCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is DUTKHZZGAQRFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S.ClH/c9-15(13,14)6-5-10-3-1-7(2-4-10)8(11)12;/h7H,1-6H2,(H,11,12)(H2,9,13,14);1H.
What are the key properties of 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride?
1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfamoylethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 75422240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).