1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol

C13H21NO3S — CID 115476752

IUPAC1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCCNCC(O)CS(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C13H21NO3S/c1-3-14-8-13(15)10-18(16,17)9-12-7-5-4-6-11(12)2/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeySFIBZQPGNDKZSU-UHFFFAOYSA-N
MW271.38 g/mol
LogP0.88
Rot. Bonds7

About 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol

1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol (PubChem CID 115476752) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
PubChem CID115476752
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCCNCC(O)CS(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C13H21NO3S/c1-3-14-8-13(15)10-18(16,17)9-12-7-5-4-6-11(12)2/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeySFIBZQPGNDKZSU-UHFFFAOYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476755
1-[(3,5-dimethylphenyl)methylsulfonyl]-3-(ethylamino)propan-2-ol
CID 115477161
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]butan-2-amine
CID 64676244
1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
CID 47559298
1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
CID 113317924
3-(ethylamino)-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 62851503
N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 94002660
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 60892013
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191
1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol
CID 115476457
3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol (CID 115476752) is 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol is CCNCC(O)CS(=O)(=O)Cc1ccccc1C.
What is the InChIKey of 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol?
The InChIKey is SFIBZQPGNDKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-14-8-13(15)10-18(16,17)9-12-7-5-4-6-11(12)2/h4-7,13-15H,3,8-10H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol?
1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol has a molecular weight of 271.38 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol is sourced from PubChem (CID 115476752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).