6-tert-butylsulfinyliminohexanoic acid

C10H19NO3S — CID 141328773

IUPAC6-tert-butylsulfinyliminohexanoic acid
SMILESCC(C)(C)S(=O)N=CCCCCC(=O)O
InChIInChI=1S/C10H19NO3S/c1-10(2,3)15(14)11-8-6-4-5-7-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyMTOJZHKGFVDOJX-UHFFFAOYSA-N
MW233.33 g/mol
LogP2.16
Rot. Bonds6

About 6-tert-butylsulfinyliminohexanoic acid

6-tert-butylsulfinyliminohexanoic acid (PubChem CID 141328773) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 6-tert-butylsulfinyliminohexanoic acid.

Molecular Properties

Compound Name6-tert-butylsulfinyliminohexanoic acid
PubChem CID141328773
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name6-tert-butylsulfinyliminohexanoic acid
SMILESCC(C)(C)S(=O)N=CCCCCC(=O)O
InChIInChI=1S/C10H19NO3S/c1-10(2,3)15(14)11-8-6-4-5-7-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyMTOJZHKGFVDOJX-UHFFFAOYSA-N
XLogP2.16
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-2-methyl-N-[6-(4-methylphenyl)-6-oxohexylidene]propane-2-sulfinamide
CID 135072030
(NE,R)-N-(4-chlorobutylidene)-2-methylpropane-2-sulfinamide
CID 57333504
(9E)-9-hydroxyiminononanoic acid
CID 135344053
8-hydrazinylideneoctanoic acid
CID 88746391
benzyl (4E)-4-tert-butylsulfinyliminobutanoate
CID 156777650
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
alumane;7,7-dimethyloctanoic acid
CID 174339298
2-amino-2-methylpropan-1-ol;(Z)-octadec-9-enoic acid
CID 6441126
(Z)-dodec-5-enedioic acid
CID 86751837

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfinyliminohexanoic acid?
The IUPAC name of 6-tert-butylsulfinyliminohexanoic acid (CID 141328773) is 6-tert-butylsulfinyliminohexanoic acid.
What is the SMILES notation for 6-tert-butylsulfinyliminohexanoic acid?
The canonical SMILES for 6-tert-butylsulfinyliminohexanoic acid is CC(C)(C)S(=O)N=CCCCCC(=O)O.
What is the InChIKey of 6-tert-butylsulfinyliminohexanoic acid?
The InChIKey is MTOJZHKGFVDOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(2,3)15(14)11-8-6-4-5-7-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 6-tert-butylsulfinyliminohexanoic acid?
6-tert-butylsulfinyliminohexanoic acid has a molecular weight of 233.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfinyliminohexanoic acid is sourced from PubChem (CID 141328773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).