N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide

C18H27N3O5S — CID 75536677

IUPACN-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
SMILESCC(=O)N1CCC(N[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)CC1
InChIInChI=1S/C18H27N3O5S/c1-13(22)21-9-7-14(8-10-21)20-16-12-26-17(18(16)23)11-19-27(24,25)15-5-3-2-4-6-15/h2-6,14,16-20,23H,7-12H2,1H3/t16-,17-,18+/m1/s1
InChIKeyRJNXIZVEXKDHRX-KURKYZTESA-N
MW397.50 g/mol
LogP-0.31
Rot. Bonds6

About N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide

N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 75536677) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
PubChem CID75536677
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC NameN-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
SMILESCC(=O)N1CCC(N[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)CC1
InChIInChI=1S/C18H27N3O5S/c1-13(22)21-9-7-14(8-10-21)20-16-12-26-17(18(16)23)11-19-27(24,25)15-5-3-2-4-6-15/h2-6,14,16-20,23H,7-12H2,1H3/t16-,17-,18+/m1/s1
InChIKeyRJNXIZVEXKDHRX-KURKYZTESA-N
XLogP-0.31
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N1-(2-(1-(phenylsulfonyl)piperidin-2-yl)ethyl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide
CID 18574292
N-[(1R,2S,3R)-2-Hydroxy-3-(3-oxopiperazin-1-YL)cyclopentyl]benzenesulfonamide
CID 110127649
2-[(2S,3S,6R)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 54639776
N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-piperidin-1-ylpropanamide
CID 54643551
N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-piperidin-1-ylpropanamide
CID 54643552
2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 25390453
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide
CID 28961334
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-methylpiperazin-1-yl)oxolan-2-yl]methyl]benzenesulfonamide
CID 28961647
N-[(2S,3R,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-(dimethylamino)acetamide
CID 53382748
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 75367097
N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75367099
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75367115

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide (CID 75536677) is N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide is CC(=O)N1CCC(N[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)CC1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is RJNXIZVEXKDHRX-KURKYZTESA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-13(22)21-9-7-14(8-10-21)20-16-12-26-17(18(16)23)11-19-27(24,25)15-5-3-2-4-6-15/h2-6,14,16-20,23H,7-12H2,1H3/t16-,17-,18+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 75536677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).