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

C13H20N2O4S — CID 75536674

IUPACN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
SMILESCN(C)[C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C13H20N2O4S/c1-15(2)11-9-19-12(13(11)16)8-14-20(17,18)10-6-4-3-5-7-10/h3-7,11-14,16H,8-9H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyPWMRGJLYVBTLQH-UPJWGTAASA-N
MW300.38 g/mol
LogP-0.35
Rot. Bonds5

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

N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 75536674) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
PubChem CID75536674
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
SMILESCN(C)[C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C13H20N2O4S/c1-15(2)11-9-19-12(13(11)16)8-14-20(17,18)10-6-4-3-5-7-10/h3-7,11-14,16H,8-9H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyPWMRGJLYVBTLQH-UPJWGTAASA-N
XLogP-0.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[(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
N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 75536677
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536695
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536700
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536703
N-[[(2R,3S,4R)-4-(cyclopropylmethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 75536704
4-fluoro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide
CID 28961358
4-fluoro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]benzenesulfonamide
CID 28961548

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide (CID 75536674) is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide is CN(C)[C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is PWMRGJLYVBTLQH-UPJWGTAASA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-15(2)11-9-19-12(13(11)16)8-14-20(17,18)10-6-4-3-5-7-10/h3-7,11-14,16H,8-9H2,1-2H3/t11-,12-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 75536674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).