3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride

C14H21ClN2O4S — CID 56802015

IUPAC3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCCC(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O4S.ClH/c17-14(18)8-10-16-9-4-5-12(11-16)15-21(19,20)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11H2,(H,17,18);1H
InChIKeyAZNPJFUTKDQBIT-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.33
Rot. Bonds6

About 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride

3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride (PubChem CID 56802015) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
PubChem CID56802015
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCCC(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O4S.ClH/c17-14(18)8-10-16-9-4-5-12(11-16)15-21(19,20)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11H2,(H,17,18);1H
InChIKeyAZNPJFUTKDQBIT-UHFFFAOYSA-N
XLogP1.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
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6-[3-[(4-bromophenyl)sulfonylamino]pyrrolidin-1-yl]hexanoic acid
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N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
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5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid
CID 139613509
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
N-[1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 56801932
N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 95599233
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
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CID 95331654

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride (CID 56802015) is 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride is Cl.O=C(O)CCN1CCCC(NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride?
The InChIKey is AZNPJFUTKDQBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S.ClH/c17-14(18)8-10-16-9-4-5-12(11-16)15-21(19,20)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11H2,(H,17,18);1H.
What are the key properties of 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride?
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 56802015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).