6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid

C18H26N2O5S — CID 139613522

IUPAC6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCCC(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-14-6-8-16(9-7-14)26(24,25)19-15-10-12-20(13-11-15)17(21)4-2-3-5-18(22)23/h6-9,15,19H,2-5,10-13H2,1H3,(H,22,23)
InChIKeyVHMQTVWCGQSOMC-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.91
Rot. Bonds8

About 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid

6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid (PubChem CID 139613522) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
PubChem CID139613522
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCCC(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-14-6-8-16(9-7-14)26(24,25)19-15-10-12-20(13-11-15)17(21)4-2-3-5-18(22)23/h6-9,15,19H,2-5,10-13H2,1H3,(H,22,23)
InChIKeyVHMQTVWCGQSOMC-UHFFFAOYSA-N
XLogP1.91
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid
CID 139613468
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108565354
4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565478
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 108566133
tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108563207
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
CID 3160566
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 33163817
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid?
The IUPAC name of 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid (CID 139613522) is 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid.
What is the SMILES notation for 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid?
The canonical SMILES for 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCCC(=O)O)CC2)cc1.
What is the InChIKey of 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid?
The InChIKey is VHMQTVWCGQSOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-14-6-8-16(9-7-14)26(24,25)19-15-10-12-20(13-11-15)17(21)4-2-3-5-18(22)23/h6-9,15,19H,2-5,10-13H2,1H3,(H,22,23).
What are the key properties of 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid?
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid has a molecular weight of 382.48 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid is sourced from PubChem (CID 139613522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).