4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide

C13H20N2O3S — CID 106725471

IUPAC4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)19(16,17)9-8-18-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3,(H3,14,15)
InChIKeyFCIROYPNDJBDJJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.56
Rot. Bonds5

About 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide

4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide (PubChem CID 106725471) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide
PubChem CID106725471
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)19(16,17)9-8-18-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3,(H3,14,15)
InChIKeyFCIROYPNDJBDJJ-UHFFFAOYSA-N
XLogP1.56
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 61058800
3-(2-tert-butylsulfonylethoxy)-4-methylbenzenecarboximidamide
CID 107657342
4-(2-tert-butylsulfonylethoxy)benzenecarbothioamide
CID 106724892
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
[4-(2-tert-butylsulfonylethoxy)phenyl]boronic acid
CID 106726710
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-octoxybenzenecarboximidamide
CID 3302492

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide?
The IUPAC name of 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide (CID 106725471) is 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide?
The canonical SMILES for 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide?
The InChIKey is FCIROYPNDJBDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,3)19(16,17)9-8-18-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3,(H3,14,15).
What are the key properties of 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide?
4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide has a molecular weight of 284.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide is sourced from PubChem (CID 106725471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).