N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide

C17H26N2O3S — CID 97335574

IUPACN-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1
InChIInChI=1S/C17H26N2O3S/c1-2-11-23(21,22)18-14-7-9-19(10-8-14)16-12-13-5-3-4-6-15(13)17(16)20/h3-6,14,16-18,20H,2,7-12H2,1H3/t16-,17-/m1/s1
InChIKeyZSKNPZROEYAQKP-IAGOWNOFSA-N
MW338.47 g/mol
LogP1.44
Rot. Bonds5

About N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 97335574) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID97335574
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1
InChIInChI=1S/C17H26N2O3S/c1-2-11-23(21,22)18-14-7-9-19(10-8-14)16-12-13-5-3-4-6-15(13)17(16)20/h3-6,14,16-18,20H,2,7-12H2,1H3/t16-,17-/m1/s1
InChIKeyZSKNPZROEYAQKP-IAGOWNOFSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide (CID 97335574) is N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1.
What is the InChIKey of N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is ZSKNPZROEYAQKP-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-11-23(21,22)18-14-7-9-19(10-8-14)16-12-13-5-3-4-6-15(13)17(16)20/h3-6,14,16-18,20H,2,7-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 97335574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).