(3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane

C13H20N2O4S — CID 133111972

IUPAC(3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane
SMILESCCN([C@@H]1COC[C@H]1O)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O4S/c1-2-15(12-9-19-10-13(12)16)20(17,18)14-8-11-6-4-3-5-7-11/h3-7,12-14,16H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyLRAKTYSJXLAWDH-CHWSQXEVSA-N
MW300.38 g/mol
LogP0.10
Rot. Bonds6

About (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane

(3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane (PubChem CID 133111972) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane.

Molecular Properties

Compound Name(3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane
PubChem CID133111972
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name(3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane
SMILESCCN([C@@H]1COC[C@H]1O)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O4S/c1-2-15(12-9-19-10-13(12)16)20(17,18)14-8-11-6-4-3-5-7-11/h3-7,12-14,16H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyLRAKTYSJXLAWDH-CHWSQXEVSA-N
XLogP0.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dibenzylamino)oxolan-3-ol
CID 130502990
benzylsulfamic acid;ethane
CID 154691965
benzyl-[(3S,4R)-3-hydroxyoxan-4-yl]carbamic acid
CID 70664248
4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
CID 130503382
CID 70601747
CID 70601747
N-(benzylsulfamoyl)butan-1-amine
CID 15569640
2-(N-benzylanilino)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]acetamide
CID 166249060
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine
CID 56871259
(3R,4S)-4-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]oxolan-3-ol
CID 77085335
4-[butyl(methyl)amino]oxolan-3-ol
CID 139506910
N-benzylpentadecane-1-sulfonamide
CID 14025944

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane?
The IUPAC name of (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane (CID 133111972) is (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane.
What is the SMILES notation for (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane?
The canonical SMILES for (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane is CCN([C@@H]1COC[C@H]1O)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane?
The InChIKey is LRAKTYSJXLAWDH-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-2-15(12-9-19-10-13(12)16)20(17,18)14-8-11-6-4-3-5-7-11/h3-7,12-14,16H,2,8-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane?
(3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane has a molecular weight of 300.38 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[benzylsulfamoyl(ethyl)amino]-4-hydroxyoxolane is sourced from PubChem (CID 133111972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).