1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol

C14H23NO3S — CID 115476457

IUPAC1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol
SMILESCCNCC(O)CS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-15-9-13(16)10-19(17,18)14-7-5-12(6-8-14)11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3
InChIKeySOMVFDIZMGPBAE-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.55
Rot. Bonds7

About 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol

1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol (PubChem CID 115476457) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol
PubChem CID115476457
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol
SMILESCCNCC(O)CS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-15-9-13(16)10-19(17,18)14-7-5-12(6-8-14)11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3
InChIKeySOMVFDIZMGPBAE-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 172553861
(2S)-1-(benzenesulfonyl)-3-(propylamino)propan-2-ol
CID 155698618
1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
CID 113317924
1-(4-chlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
CID 115476465
1-(3,4-dichlorophenyl)sulfonyl-3-(propylamino)propan-2-ol
CID 115476449
N-[[4-(2-methylpropylsulfonyl)phenyl]methyl]ethanamine
CID 82550554
1-(benzenesulfonyl)-3-(propan-2-ylamino)propan-2-ol
CID 113317915
1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476603
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
1-(4-tert-butylphenyl)sulfonyl-3-(methylamino)propan-2-ol
CID 79022605
1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476752
1-(propan-2-ylamino)-3-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 106585563

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol (CID 115476457) is 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol is CCNCC(O)CS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol?
The InChIKey is SOMVFDIZMGPBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-15-9-13(16)10-19(17,18)14-7-5-12(6-8-14)11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol?
1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol has a molecular weight of 285.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-propan-2-ylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 115476457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).