1-tert-butyl-2-(sulfinatoamino)benzene

C10H14NO2S- — CID 19910934

IUPAC1-tert-butyl-2-(sulfinatoamino)benzene
SMILESCC(C)(C)c1ccccc1NS(=O)[O-]
InChIInChI=1S/C10H15NO2S/c1-10(2,3)8-6-4-5-7-9(8)11-14(12)13/h4-7,11H,1-3H3,(H,12,13)/p-1
InChIKeyVOFVZUOTIQPJPM-UHFFFAOYSA-M
MW212.29 g/mol
LogP2.19
Rot. Bonds2

About 1-tert-butyl-2-(sulfinatoamino)benzene

1-tert-butyl-2-(sulfinatoamino)benzene (PubChem CID 19910934) has the molecular formula C10H14NO2S- and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-tert-butyl-2-(sulfinatoamino)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-(sulfinatoamino)benzene
PubChem CID19910934
Molecular FormulaC10H14NO2S-
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name1-tert-butyl-2-(sulfinatoamino)benzene
SMILESCC(C)(C)c1ccccc1NS(=O)[O-]
InChIInChI=1S/C10H15NO2S/c1-10(2,3)8-6-4-5-7-9(8)11-14(12)13/h4-7,11H,1-3H3,(H,12,13)/p-1
InChIKeyVOFVZUOTIQPJPM-UHFFFAOYSA-M
XLogP2.19
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-tert-butyl-N-propylaniline
CID 39238556
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2-tert-butyl-N-pentan-3-ylaniline
CID 43682945
lithium 2-tert-butylbenzenesulfonate
CID 23719371
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
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3-(2-tert-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(sulfinatoamino)benzene?
The IUPAC name of 1-tert-butyl-2-(sulfinatoamino)benzene (CID 19910934) is 1-tert-butyl-2-(sulfinatoamino)benzene.
What is the SMILES notation for 1-tert-butyl-2-(sulfinatoamino)benzene?
The canonical SMILES for 1-tert-butyl-2-(sulfinatoamino)benzene is CC(C)(C)c1ccccc1NS(=O)[O-].
What is the InChIKey of 1-tert-butyl-2-(sulfinatoamino)benzene?
The InChIKey is VOFVZUOTIQPJPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,3)8-6-4-5-7-9(8)11-14(12)13/h4-7,11H,1-3H3,(H,12,13)/p-1.
What are the key properties of 1-tert-butyl-2-(sulfinatoamino)benzene?
1-tert-butyl-2-(sulfinatoamino)benzene has a molecular weight of 212.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(sulfinatoamino)benzene is sourced from PubChem (CID 19910934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).