N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide

C10H15NO3S — CID 94192811

IUPACN-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
SMILESC[C@H](COc1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C10H15NO3S/c1-9(11-15(2,12)13)8-14-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1
InChIKeyPFQCHOXMLJXFSI-SECBINFHSA-N
MW229.30 g/mol
LogP1.00
Rot. Bonds5

About N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide

N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide (PubChem CID 94192811) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
PubChem CID94192811
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
SMILESC[C@H](COc1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C10H15NO3S/c1-9(11-15(2,12)13)8-14-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1
InChIKeyPFQCHOXMLJXFSI-SECBINFHSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
CID 56921687
N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide
CID 56920264
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide
CID 95125733
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
CID 58817392
4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid
CID 18436761
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide (CID 94192811) is N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide is C[C@H](COc1ccccc1)NS(C)(=O)=O.
What is the InChIKey of N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide?
The InChIKey is PFQCHOXMLJXFSI-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-9(11-15(2,12)13)8-14-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide?
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide is sourced from PubChem (CID 94192811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).