1-(N-methyl-2-methylsulfonylanilino)propan-2-ol

C11H17NO3S — CID 62335208

IUPAC1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
SMILESCC(O)CN(C)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-9(13)8-12(2)10-6-4-5-7-11(10)16(3,14)15/h4-7,9,13H,8H2,1-3H3
InChIKeyCDDZLUQKQWYMAG-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.91
Rot. Bonds4

About 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol

1-(N-methyl-2-methylsulfonylanilino)propan-2-ol (PubChem CID 62335208) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
PubChem CID62335208
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
SMILESCC(O)CN(C)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-9(13)8-12(2)10-6-4-5-7-11(10)16(3,14)15/h4-7,9,13H,8H2,1-3H3
InChIKeyCDDZLUQKQWYMAG-UHFFFAOYSA-N
XLogP0.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methyl-2-methylsulfonylanilino)acetic acid
CID 43453480
N'-methyl-N-(2-methylpropyl)-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593915
1-(2-bromo-N-methylanilino)propan-2-ol
CID 82117993
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
N-(5-bromopentyl)-N-methyl-2-methylsulfonylaniline
CID 107205127
3-(N-ethyl-2-methylsulfonylanilino)-2-methylpropanoic acid
CID 55123154
4-[N-methyl-2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 115658301
1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
CID 115868665
N-(2-bromoethyl)-2-methylsulfonyl-N-propan-2-ylaniline
CID 80671892
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
N-(2-chloropropyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 63392463

Frequently Asked Questions

What is the IUPAC name of 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol?
The IUPAC name of 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol (CID 62335208) is 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol.
What is the SMILES notation for 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol?
The canonical SMILES for 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol is CC(O)CN(C)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol?
The InChIKey is CDDZLUQKQWYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9(13)8-12(2)10-6-4-5-7-11(10)16(3,14)15/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol?
1-(N-methyl-2-methylsulfonylanilino)propan-2-ol has a molecular weight of 243.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methyl-2-methylsulfonylanilino)propan-2-ol is sourced from PubChem (CID 62335208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).