1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol

C11H17NO3S — CID 79022604

IUPAC1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
SMILESCNCC(O)CS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C11H17NO3S/c1-9-4-3-5-11(6-9)16(14,15)8-10(13)7-12-2/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyFJUZZZHCBPGPLE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.35
Rot. Bonds5

About 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol

1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol (PubChem CID 79022604) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
PubChem CID79022604
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
SMILESCNCC(O)CS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C11H17NO3S/c1-9-4-3-5-11(6-9)16(14,15)8-10(13)7-12-2/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyFJUZZZHCBPGPLE-UHFFFAOYSA-N
XLogP0.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol
CID 106585298
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585286
1-(4-tert-butylphenyl)sulfonyl-3-(methylamino)propan-2-ol
CID 79022605
1-(2-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585310
1-(2,2-dimethoxyethylsulfonyl)-3-methylbenzene
CID 66222400
N,3-dimethyl-2-(3-methylphenyl)sulfonylbutan-1-amine
CID 117037756
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-3-methylbenzene
CID 64758113
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
1-(methylamino)-3-(4-nitrophenyl)sulfonylpropan-2-ol
CID 113317940
1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 115477152
N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine
CID 117036397
1-(3-bromophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476729

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol (CID 79022604) is 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol is CNCC(O)CS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is FJUZZZHCBPGPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-4-3-5-11(6-9)16(14,15)8-10(13)7-12-2/h3-6,10,12-13H,7-8H2,1-2H3.
What are the key properties of 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol?
1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 243.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 79022604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).