N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide

C15H25NO3S — CID 51107732

IUPACN-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccc(COC(C)(C)C)c1
InChIInChI=1S/C15H25NO3S/c1-5-9-20(17,18)16-11-13-7-6-8-14(10-13)12-19-15(2,3)4/h6-8,10,16H,5,9,11-12H2,1-4H3
InChIKeyGNXGIWUREBQFBQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.83
Rot. Bonds7

About N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide

N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide (PubChem CID 51107732) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide
PubChem CID51107732
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccc(COC(C)(C)C)c1
InChIInChI=1S/C15H25NO3S/c1-5-9-20(17,18)16-11-13-7-6-8-14(10-13)12-19-15(2,3)4/h6-8,10,16H,5,9,11-12H2,1-4H3
InChIKeyGNXGIWUREBQFBQ-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679
1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
CID 119110641
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 99696816
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 119107430
N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide
CID 63290144
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113222
2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride
CID 120704236
N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 112992190
3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylsulfamoyl]-N-prop-2-enylbenzamide
CID 86880808
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-(4-nitrophenyl)methanamine
CID 119107427
1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 110922178
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107422

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide (CID 51107732) is N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cccc(COC(C)(C)C)c1.
What is the InChIKey of N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide?
The InChIKey is GNXGIWUREBQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-9-20(17,18)16-11-13-7-6-8-14(10-13)12-19-15(2,3)4/h6-8,10,16H,5,9,11-12H2,1-4H3.
What are the key properties of N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide?
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 51107732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).