2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine

C12H19NO3S — CID 81188680

IUPAC2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine
SMILESCC(C)(N)CS(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-12(2,13)10-17(14,15)9-8-16-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3
InChIKeyLSKQPJNWFPZCJU-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.22
Rot. Bonds6

About 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine

2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine (PubChem CID 81188680) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine
PubChem CID81188680
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine
SMILESCC(C)(N)CS(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-12(2,13)10-17(14,15)9-8-16-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3
InChIKeyLSKQPJNWFPZCJU-UHFFFAOYSA-N
XLogP1.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine
CID 81202614
2-phenoxyethanesulfonamide
CID 54595861
4-(3-phenoxypropylsulfonyl)butan-2-amine
CID 81193496
3-phenoxypropane-1-sulfonyl chloride
CID 62937989
N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119988125
2-methyl-1-(3-phenoxypropoxy)propan-2-amine
CID 64537390
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
2-methyl-2-(3-phenoxypropylsulfonyl)propanoic acid
CID 81229811
1-(2,2-difluoro-2-phenylethyl)sulfonyl-2-methylpropan-2-amine
CID 116790963
1-(2-ethylsulfonylethylsulfonyl)-2-methylpropan-2-amine
CID 81189829
3-methyl-4-(2-phenoxyethylsulfonyl)aniline
CID 81191636
3-(2-phenoxyethylsulfonyl)butanoic acid
CID 66113224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine (CID 81188680) is 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine is CC(C)(N)CS(=O)(=O)CCOc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine?
The InChIKey is LSKQPJNWFPZCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,13)10-17(14,15)9-8-16-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3.
What are the key properties of 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine?
2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine is sourced from PubChem (CID 81188680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).