N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide

C17H27NO4S — CID 124615175

IUPACN-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
SMILESCC(C)(O)CN(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C17H27NO4S/c1-17(2,19)14-18(12-15-8-4-3-5-9-15)23(20,21)13-16-10-6-7-11-22-16/h3-5,8-9,16,19H,6-7,10-14H2,1-2H3/t16-/m1/s1
InChIKeyWJMGONOHMOIQBH-MRXNPFEDSA-N
MW341.47 g/mol
LogP2.16
Rot. Bonds7

About N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide

N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide (PubChem CID 124615175) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
PubChem CID124615175
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC NameN-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
SMILESCC(C)(O)CN(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C17H27NO4S/c1-17(2,19)14-18(12-15-8-4-3-5-9-15)23(20,21)13-16-10-6-7-11-22-16/h3-5,8-9,16,19H,6-7,10-14H2,1-2H3/t16-/m1/s1
InChIKeyWJMGONOHMOIQBH-MRXNPFEDSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 79387072
2-(3-phenylpropylsulfonylmethyl)oxane
CID 78850846
2-[(2-fluorophenyl)sulfonylmethyl]oxane
CID 64716675
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
N-benzyl-N-(2-hydroxy-2-methylpropyl)-2-methyloxane-3-carboxamide
CID 129000788
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
4-[methyl(oxolan-2-ylmethylsulfonyl)amino]benzoic acid
CID 104698285
N'-[benzyl(methyl)sulfamoyl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 131935981
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1109412
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620
N-[(3-aminophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175662

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide?
The IUPAC name of N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide (CID 124615175) is N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide is CC(C)(O)CN(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCCO1.
What is the InChIKey of N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide?
The InChIKey is WJMGONOHMOIQBH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27NO4S/c1-17(2,19)14-18(12-15-8-4-3-5-9-15)23(20,21)13-16-10-6-7-11-22-16/h3-5,8-9,16,19H,6-7,10-14H2,1-2H3/t16-/m1/s1.
What are the key properties of N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide?
N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide has a molecular weight of 341.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide is sourced from PubChem (CID 124615175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).