1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene

C8H8N2O3S2 — CID 88553341

IUPAC1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene
SMILESCOCc1cc(N=S=O)cc(N=S=O)c1
InChIInChI=1S/C8H8N2O3S2/c1-13-5-6-2-7(9-14-11)4-8(3-6)10-15-12/h2-4H,5H2,1H3
InChIKeyGLDRHZOATNZUAE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.89
Rot. Bonds4

About 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene

1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene (PubChem CID 88553341) has the molecular formula C8H8N2O3S2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene.

Molecular Properties

Compound Name1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene
PubChem CID88553341
Molecular FormulaC8H8N2O3S2
Molecular Weight244.30 g/mol
Exact Mass244.00
IUPAC Name1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene
SMILESCOCc1cc(N=S=O)cc(N=S=O)c1
InChIInChI=1S/C8H8N2O3S2/c1-13-5-6-2-7(9-14-11)4-8(3-6)10-15-12/h2-4H,5H2,1H3
InChIKeyGLDRHZOATNZUAE-UHFFFAOYSA-N
XLogP1.89
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methoxymethyl)-4-(sulfinylamino)benzene;methylidene-[4-(sulfinylamino)phenyl]imino-λ4-sulfane
CID 157078608
2,6-dibromo-4-(methoxymethyl)pyridine
CID 139464696
5-(methoxymethyl)-1,2,3-trimethylbenzene
CID 23572077
1-tert-butyl-3,5-bis(methoxymethyl)benzene
CID 123490967
2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene
CID 157212887
4-(methoxymethyl)-2,6-dimethylaniline
CID 13265329
ethane;2-methoxy-4-(methoxymethyl)pyridine
CID 156724194
6-chloro-4-(methoxymethyl)-1H-pyridin-2-one
CID 123912022
2,4-bis(methoxymethyl)-6-propan-2-ylphenol
CID 141487661
1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone
CID 89361495
[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate
CID 14261267
3-amino-5-(methoxymethyl)benzonitrile
CID 69129586

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene?
The IUPAC name of 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene (CID 88553341) is 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene.
What is the SMILES notation for 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene?
The canonical SMILES for 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene is COCc1cc(N=S=O)cc(N=S=O)c1.
What is the InChIKey of 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene?
The InChIKey is GLDRHZOATNZUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S2/c1-13-5-6-2-7(9-14-11)4-8(3-6)10-15-12/h2-4H,5H2,1H3.
What are the key properties of 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene?
1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene has a molecular weight of 244.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene is sourced from PubChem (CID 88553341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).