2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol

C14H23NO3S — CID 61147145

IUPAC2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
SMILESCCCS(=O)(=O)c1ccc(N(CCO)C(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-11-19(17,18)14-7-5-13(6-8-14)15(9-10-16)12(2)3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyOYNZNTLHOFKUNI-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.08
Rot. Bonds7

About 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol

2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol (PubChem CID 61147145) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol.

Molecular Properties

Compound Name2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
PubChem CID61147145
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
SMILESCCCS(=O)(=O)c1ccc(N(CCO)C(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-11-19(17,18)14-7-5-13(6-8-14)15(9-10-16)12(2)3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyOYNZNTLHOFKUNI-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

4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide
CID 61146670
3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61146549
2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
CID 61146204
N-(1-chloropropan-2-yl)-N-methyl-4-propylsulfonylaniline
CID 113426413
2-(4-ethylsulfonyl-N-propylanilino)ethanol
CID 61425669
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
1-N-methyl-1-N-(4-propylsulfonylphenyl)propane-1,2-diamine
CID 63759949
4-propylsulfonylbenzenesulfonic acid
CID 163962227
N-ethyl-N-(4-propylsulfonylphenyl)acetamide
CID 110172517
3-(4-propylsulfonylphenyl)sulfanylbutan-1-ol
CID 66138300
1-(4-bromobutan-2-yl)-4-propylsulfonylbenzene
CID 83927277

Frequently Asked Questions

What is the IUPAC name of 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol?
The IUPAC name of 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol (CID 61147145) is 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol.
What is the SMILES notation for 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol?
The canonical SMILES for 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol is CCCS(=O)(=O)c1ccc(N(CCO)C(C)C)cc1.
What is the InChIKey of 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol?
The InChIKey is OYNZNTLHOFKUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-11-19(17,18)14-7-5-13(6-8-14)15(9-10-16)12(2)3/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol?
2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol 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 2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol is sourced from PubChem (CID 61147145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).