N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide

C15H22N2O5S — CID 135089086

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(CO)cc1
InChIInChI=1S/C15H22N2O5S/c1-17(2)23(20,21)10-13-8-22-9-14(13)16-15(19)12-5-3-11(7-18)4-6-12/h3-6,13-14,18H,7-10H2,1-2H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyCESAVQCCGWGAFO-UONOGXRCSA-N
MW342.42 g/mol
LogP-0.18
Rot. Bonds6

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide (PubChem CID 135089086) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
PubChem CID135089086
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(CO)cc1
InChIInChI=1S/C15H22N2O5S/c1-17(2)23(20,21)10-13-8-22-9-14(13)16-15(19)12-5-3-11(7-18)4-6-12/h3-6,13-14,18H,7-10H2,1-2H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyCESAVQCCGWGAFO-UONOGXRCSA-N
XLogP-0.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135108216
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
CID 163312504
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135110943
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-5-carboxamide
CID 135107605
6-cyano-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 135117318
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-benzothiazole-6-carboxamide
CID 135098112
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide (CID 135089086) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(CO)cc1.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide?
The InChIKey is CESAVQCCGWGAFO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-17(2)23(20,21)10-13-8-22-9-14(13)16-15(19)12-5-3-11(7-18)4-6-12/h3-6,13-14,18H,7-10H2,1-2H3,(H,16,19)/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide has a molecular weight of 342.42 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 135089086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).