N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide

C17H24N2O4S — CID 139005789

IUPACN-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1
InChIInChI=1S/C17H24N2O4S/c1-2-24(22,23)18-15-7-9-19(10-8-15)16(20)17(21)11-13-5-3-4-6-14(13)12-17/h3-6,15,18,21H,2,7-12H2,1H3
InChIKeyXOCAPWMKFDNZJU-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.45
Rot. Bonds4

About N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide

N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 139005789) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide
PubChem CID139005789
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1
InChIInChI=1S/C17H24N2O4S/c1-2-24(22,23)18-15-7-9-19(10-8-15)16(20)17(21)11-13-5-3-4-6-14(13)12-17/h3-6,15,18,21H,2,7-12H2,1H3
InChIKeyXOCAPWMKFDNZJU-UHFFFAOYSA-N
XLogP0.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
CID 110819188
N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
CID 60949730
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide (CID 139005789) is N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1.
What is the InChIKey of N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is XOCAPWMKFDNZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-24(22,23)18-15-7-9-19(10-8-15)16(20)17(21)11-13-5-3-4-6-14(13)12-17/h3-6,15,18,21H,2,7-12H2,1H3.
What are the key properties of N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 139005789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).