N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide

C16H20N2O4S2 — CID 75536694

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C16H20N2O4S2/c19-16-14(17-9-12-5-4-8-23-12)11-22-15(16)10-18-24(20,21)13-6-2-1-3-7-13/h1-8,14-19H,9-11H2/t14-,15-,16+/m1/s1
InChIKeyHKMJUTNTNMVGOB-OAGGEKHMSA-N
MW368.48 g/mol
LogP0.94
Rot. Bonds7

About N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide

N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 75536694) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID75536694
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C16H20N2O4S2/c19-16-14(17-9-12-5-4-8-23-12)11-22-15(16)10-18-24(20,21)13-6-2-1-3-7-13/h1-8,14-19H,9-11H2/t14-,15-,16+/m1/s1
InChIKeyHKMJUTNTNMVGOB-OAGGEKHMSA-N
XLogP0.94
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

US10807974, Example 43
CID 130345141
Benzene-1,4-disulfonic acid 1-cyclopentylamide 4-[(tetrahydro-furan-2-ylmethyl)-thiophen-2-ylmethyl-amide]
CID 648468
N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 86769006
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]thiophene-2-sulfonamide
CID 28962175
N-[[(2R,3R,4S,5S)-3-[benzyl(methyl)amino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]thiophene-2-sulfonamide
CID 38026712
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536713
4-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189952
[1-[3-[5-(Aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 130345142
[(2S)-1-[3-[5-(methylaminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 130358192
1-N-cyclopentyl-4-N-[[(2R)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1176426
4-N-cyclopropyl-1-N-[[(2R)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1176758
4-N-cyclopropyl-1-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1176759

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide (CID 75536694) is N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is HKMJUTNTNMVGOB-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c19-16-14(17-9-12-5-4-8-23-12)11-22-15(16)10-18-24(20,21)13-6-2-1-3-7-13/h1-8,14-19H,9-11H2/t14-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 75536694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).