3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol

C14H23NO3S — CID 61146549

IUPAC3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
SMILESCCS(=O)(=O)c1ccc(N(CCCO)C(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-19(17,18)14-8-6-13(7-9-14)15(12(2)3)10-5-11-16/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyAVEBUGAIXXJUAE-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.08
Rot. Bonds7

About 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol

3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol (PubChem CID 61146549) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
PubChem CID61146549
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
SMILESCCS(=O)(=O)c1ccc(N(CCCO)C(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-19(17,18)14-8-6-13(7-9-14)15(12(2)3)10-5-11-16/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyAVEBUGAIXXJUAE-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734
2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
CID 61147145
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
CID 61146204
2-(4-ethylsulfonyl-N-propylanilino)ethanol
CID 61425669
4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide
CID 61146670
3-[N-propan-2-yl-4-(propylaminomethyl)anilino]propan-1-ol
CID 54994250
1-[2-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]phenyl]ethanone
CID 79600216
3-[4-(hydroxymethyl)-3-methyl-N-propan-2-ylanilino]propan-1-ol
CID 62135214
3-amino-4-[3-hydroxypropyl(propan-2-yl)amino]benzenesulfonamide
CID 54993716
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
CID 60870242

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol?
The IUPAC name of 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol (CID 61146549) is 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol.
What is the SMILES notation for 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol?
The canonical SMILES for 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol is CCS(=O)(=O)c1ccc(N(CCCO)C(C)C)cc1.
What is the InChIKey of 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol?
The InChIKey is AVEBUGAIXXJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-19(17,18)14-8-6-13(7-9-14)15(12(2)3)10-5-11-16/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol?
3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol has a molecular weight of 285.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol is sourced from PubChem (CID 61146549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).