[cyclohexylmethyl(sulfinato)amino]benzene

C13H18NO2S- — CID 57266078

IUPAC[cyclohexylmethyl(sulfinato)amino]benzene
SMILESO=S([O-])N(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C13H19NO2S/c15-17(16)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)/p-1
InChIKeyFZHZJCUYJXVZCE-UHFFFAOYSA-M
MW252.36 g/mol
LogP2.87
Rot. Bonds4

About [cyclohexylmethyl(sulfinato)amino]benzene

[cyclohexylmethyl(sulfinato)amino]benzene (PubChem CID 57266078) has the molecular formula C13H18NO2S- and a molecular weight of 252.36 g/mol. Its IUPAC name is [cyclohexylmethyl(sulfinato)amino]benzene.

Molecular Properties

Compound Name[cyclohexylmethyl(sulfinato)amino]benzene
PubChem CID57266078
Molecular FormulaC13H18NO2S-
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC Name[cyclohexylmethyl(sulfinato)amino]benzene
SMILESO=S([O-])N(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C13H19NO2S/c15-17(16)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)/p-1
InChIKeyFZHZJCUYJXVZCE-UHFFFAOYSA-M
XLogP2.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclohexylmethyl(sulfinato)amino]benzene?
The IUPAC name of [cyclohexylmethyl(sulfinato)amino]benzene (CID 57266078) is [cyclohexylmethyl(sulfinato)amino]benzene.
What is the SMILES notation for [cyclohexylmethyl(sulfinato)amino]benzene?
The canonical SMILES for [cyclohexylmethyl(sulfinato)amino]benzene is O=S([O-])N(CC1CCCCC1)c1ccccc1.
What is the InChIKey of [cyclohexylmethyl(sulfinato)amino]benzene?
The InChIKey is FZHZJCUYJXVZCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19NO2S/c15-17(16)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)/p-1.
What are the key properties of [cyclohexylmethyl(sulfinato)amino]benzene?
[cyclohexylmethyl(sulfinato)amino]benzene has a molecular weight of 252.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexylmethyl(sulfinato)amino]benzene is sourced from PubChem (CID 57266078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).