1-propan-2-yloxy-2-(sulfinoamino)benzene

C9H13NO3S — CID 57158974

IUPAC1-propan-2-yloxy-2-(sulfinoamino)benzene
SMILESCC(C)Oc1ccccc1NS(=O)O
InChIInChI=1S/C9H13NO3S/c1-7(2)13-9-6-4-3-5-8(9)10-14(11)12/h3-7,10H,1-2H3,(H,11,12)
InChIKeyMJVZJZFYQAICQD-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.02
Rot. Bonds4

About 1-propan-2-yloxy-2-(sulfinoamino)benzene

1-propan-2-yloxy-2-(sulfinoamino)benzene (PubChem CID 57158974) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-propan-2-yloxy-2-(sulfinoamino)benzene.

Molecular Properties

Compound Name1-propan-2-yloxy-2-(sulfinoamino)benzene
PubChem CID57158974
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name1-propan-2-yloxy-2-(sulfinoamino)benzene
SMILESCC(C)Oc1ccccc1NS(=O)O
InChIInChI=1S/C9H13NO3S/c1-7(2)13-9-6-4-3-5-8(9)10-14(11)12/h3-7,10H,1-2H3,(H,11,12)
InChIKeyMJVZJZFYQAICQD-UHFFFAOYSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-propan-2-yloxy-2-(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

N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
3-(2-propan-2-yloxyanilino)butanoic acid
CID 112510100
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
N-(2-propan-2-yloxyphenyl)benzenecarbothioamide
CID 101432732
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
CID 17150868

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-2-(sulfinoamino)benzene?
The IUPAC name of 1-propan-2-yloxy-2-(sulfinoamino)benzene (CID 57158974) is 1-propan-2-yloxy-2-(sulfinoamino)benzene.
What is the SMILES notation for 1-propan-2-yloxy-2-(sulfinoamino)benzene?
The canonical SMILES for 1-propan-2-yloxy-2-(sulfinoamino)benzene is CC(C)Oc1ccccc1NS(=O)O.
What is the InChIKey of 1-propan-2-yloxy-2-(sulfinoamino)benzene?
The InChIKey is MJVZJZFYQAICQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7(2)13-9-6-4-3-5-8(9)10-14(11)12/h3-7,10H,1-2H3,(H,11,12).
What are the key properties of 1-propan-2-yloxy-2-(sulfinoamino)benzene?
1-propan-2-yloxy-2-(sulfinoamino)benzene has a molecular weight of 215.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-2-(sulfinoamino)benzene is sourced from PubChem (CID 57158974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).