1-ethylsulfinamoyloxy-4-methylbenzene

C9H13NO2S — CID 20718421

IUPAC1-ethylsulfinamoyloxy-4-methylbenzene
SMILESCCNS(=O)Oc1ccc(C)cc1
InChIInChI=1S/C9H13NO2S/c1-3-10-13(11)12-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyXMULTRHTVPZCDR-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.56
Rot. Bonds4

About 1-ethylsulfinamoyloxy-4-methylbenzene

1-ethylsulfinamoyloxy-4-methylbenzene (PubChem CID 20718421) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-ethylsulfinamoyloxy-4-methylbenzene.

Molecular Properties

Compound Name1-ethylsulfinamoyloxy-4-methylbenzene
PubChem CID20718421
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name1-ethylsulfinamoyloxy-4-methylbenzene
SMILESCCNS(=O)Oc1ccc(C)cc1
InChIInChI=1S/C9H13NO2S/c1-3-10-13(11)12-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyXMULTRHTVPZCDR-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene
CID 20665645
(3-methylphenyl) (4-methylphenyl) sulfite
CID 174586791
1-methoxy-4-methylbenzene;propane
CID 142064987
(3-hydroxy-3-methylbutan-2-yl) (4-methylphenyl) sulfite
CID 22081687
1-(2,2-difluorobutyl)-4-methylbenzene;ethyl (4-methylphenyl) sulfite
CID 90807406
(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate
CID 18683136
N-ethyl-2-methoxy-3-(4-methylphenoxy)cyclobutan-1-amine
CID 113439757
N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
CID 142479341
2-(4-methylphenoxy)ethanol;thionyl dichloride
CID 91035331
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinamoyloxy-4-methylbenzene?
The IUPAC name of 1-ethylsulfinamoyloxy-4-methylbenzene (CID 20718421) is 1-ethylsulfinamoyloxy-4-methylbenzene.
What is the SMILES notation for 1-ethylsulfinamoyloxy-4-methylbenzene?
The canonical SMILES for 1-ethylsulfinamoyloxy-4-methylbenzene is CCNS(=O)Oc1ccc(C)cc1.
What is the InChIKey of 1-ethylsulfinamoyloxy-4-methylbenzene?
The InChIKey is XMULTRHTVPZCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-10-13(11)12-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3.
What are the key properties of 1-ethylsulfinamoyloxy-4-methylbenzene?
1-ethylsulfinamoyloxy-4-methylbenzene has a molecular weight of 199.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinamoyloxy-4-methylbenzene is sourced from PubChem (CID 20718421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).