2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol

C12H19NO4S — CID 106186517

IUPAC2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol
SMILESCCS(=O)(=O)c1ccccc1NC(CO)COC
InChIInChI=1S/C12H19NO4S/c1-3-18(15,16)12-7-5-4-6-11(12)13-10(8-14)9-17-2/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyAROVCJNONTXBDJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.90
Rot. Bonds7

About 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol

2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol (PubChem CID 106186517) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol
PubChem CID106186517
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol
SMILESCCS(=O)(=O)c1ccccc1NC(CO)COC
InChIInChI=1S/C12H19NO4S/c1-3-18(15,16)12-7-5-4-6-11(12)13-10(8-14)9-17-2/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyAROVCJNONTXBDJ-UHFFFAOYSA-N
XLogP0.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
CID 106186569
methyl 2-(2-ethylsulfonylanilino)butanoate
CID 115352923
2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
CID 43453587
5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol
CID 102846516
2-(2-ethylsulfonylanilino)-N-methylpropanamide
CID 54950934
2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
CID 43393208
2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol
CID 43500186
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide
CID 114212293
2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43738209
N-(2-chloro-3-methoxypropyl)-2-propylsulfonylaniline
CID 65027838
2-(2-ethylsulfonylanilino)-2-methylpropanamide
CID 61220775

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol?
The IUPAC name of 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol (CID 106186517) is 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol is CCS(=O)(=O)c1ccccc1NC(CO)COC.
What is the InChIKey of 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol?
The InChIKey is AROVCJNONTXBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-3-18(15,16)12-7-5-4-6-11(12)13-10(8-14)9-17-2/h4-7,10,13-14H,3,8-9H2,1-2H3.
What are the key properties of 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol?
2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol is sourced from PubChem (CID 106186517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).