1-(2-ethylhexoxy)-4-(sulfinoamino)benzene

C14H23NO3S — CID 57062457

IUPAC1-(2-ethylhexoxy)-4-(sulfinoamino)benzene
SMILESCCCCC(CC)COc1ccc(NS(=O)O)cc1
InChIInChI=1S/C14H23NO3S/c1-3-5-6-12(4-2)11-18-14-9-7-13(8-10-14)15-19(16)17/h7-10,12,15H,3-6,11H2,1-2H3,(H,16,17)
InChIKeyYXKYSEJQMOGAHS-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.83
Rot. Bonds9

About 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene

1-(2-ethylhexoxy)-4-(sulfinoamino)benzene (PubChem CID 57062457) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-4-(sulfinoamino)benzene
PubChem CID57062457
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(2-ethylhexoxy)-4-(sulfinoamino)benzene
SMILESCCCCC(CC)COc1ccc(NS(=O)O)cc1
InChIInChI=1S/C14H23NO3S/c1-3-5-6-12(4-2)11-18-14-9-7-13(8-10-14)15-19(16)17/h7-10,12,15H,3-6,11H2,1-2H3,(H,16,17)
InChIKeyYXKYSEJQMOGAHS-UHFFFAOYSA-N
XLogP3.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
1-pentoxy-4-(sulfinoamino)benzene
CID 69101346
1-(2-ethylhexoxy)-2-(sulfinoamino)benzene
CID 57122147
N-[4-(2-ethylhexoxy)phenyl]-4-nitroaniline
CID 59215593
2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 18823969
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
6-[4-(2-ethylhexoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 22363294
1,2-bis[4-[4-[4-(2-ethylhexoxy)-N-[4-(2-ethylhexoxy)phenyl]anilino]phenyl]phenyl]ethane-1,2-dione
CID 102199896

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene?
The IUPAC name of 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene (CID 57062457) is 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene.
What is the SMILES notation for 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene?
The canonical SMILES for 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene is CCCCC(CC)COc1ccc(NS(=O)O)cc1.
What is the InChIKey of 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene?
The InChIKey is YXKYSEJQMOGAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-5-6-12(4-2)11-18-14-9-7-13(8-10-14)15-19(16)17/h7-10,12,15H,3-6,11H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene?
1-(2-ethylhexoxy)-4-(sulfinoamino)benzene has a molecular weight of 285.41 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-4-(sulfinoamino)benzene is sourced from PubChem (CID 57062457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).