N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide

C13H21NO3S — CID 139639198

IUPACN-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide
SMILESCCNS(=O)c1ccc(OC(C)(C)CCO)cc1
InChIInChI=1S/C13H21NO3S/c1-4-14-18(16)12-7-5-11(6-8-12)17-13(2,3)9-10-15/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyZKMOOSSFPKURFF-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.86
Rot. Bonds7

About N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide

N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide (PubChem CID 139639198) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide.

Molecular Properties

Compound NameN-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide
PubChem CID139639198
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide
SMILESCCNS(=O)c1ccc(OC(C)(C)CCO)cc1
InChIInChI=1S/C13H21NO3S/c1-4-14-18(16)12-7-5-11(6-8-12)17-13(2,3)9-10-15/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyZKMOOSSFPKURFF-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylsulfinylphenoxy)-3-methylbutan-1-ol
CID 139639259
3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
CID 142891336
3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol
CID 139638560
3-methyl-3-phenoxybutan-1-ol
CID 59317089
3-methyl-3-(4-methylsulfonylphenoxy)butan-1-ol
CID 139638640
N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 134534514
3-methyl-3-pyridin-4-yloxybutan-1-ol
CID 139639068
methyl 4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfonate
CID 139638904
4-(2-methylbut-3-en-2-yloxy)-N-propylbenzenesulfinamide
CID 139639346
N-ethyl-4-(methylaminomethyl)benzenesulfinamide
CID 144925802
1-methyl-4-(2-methylpentan-2-yloxy)benzene
CID 163980020
5-methyl-5-(4-methylphenoxy)hexanoic acid
CID 70564021

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide?
The IUPAC name of N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide (CID 139639198) is N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide.
What is the SMILES notation for N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide?
The canonical SMILES for N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide is CCNS(=O)c1ccc(OC(C)(C)CCO)cc1.
What is the InChIKey of N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide?
The InChIKey is ZKMOOSSFPKURFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-14-18(16)12-7-5-11(6-8-12)17-13(2,3)9-10-15/h5-8,14-15H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide?
N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide has a molecular weight of 271.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide is sourced from PubChem (CID 139639198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).